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Pyrroles

Aromatic organic heterocyclic compounds that consist of a five-membered ring with four carbon atoms and one nitrogen atom that forms an amine functional group.
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31 – 45 of 2,286 results
31

[4-(1H-Pyrrol-1-yl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 143426-51-1 Molecular Formula: C11H11NO Molecular Weight (g/mol): 173.215 MDL Number: MFCD03659708 InChI Key: LQQQPLUFBVYLRE-UHFFFAOYSA-N Synonym: 4-1h-pyrrol-1-yl phenyl methanol,1-4-hydroxymethylphenyl pyrrole,4-1h-pyrrol-1-yl benzyl alcohol,4-pyrrol-1-yl phenyl methanol,benzenemethanol,4-1h-pyrrol-1-yl,4-pyrrolylphenyl methan-1-ol,4-1h-pyrrol-1-yl benzylalcohol,pubchem11303,4-pyrrol-1-ylphenyl methanol PubChem CID: 599478 IUPAC Name: (4-pyrrol-1-ylphenyl)methanol SMILES: C1=CN(C=C1)C2=CC=C(C=C2)CO

PubChem CID 599478
CAS 143426-51-1
Molecular Weight (g/mol) 173.215
MDL Number MFCD03659708
SMILES C1=CN(C=C1)C2=CC=C(C=C2)CO
Synonym 4-1h-pyrrol-1-yl phenyl methanol,1-4-hydroxymethylphenyl pyrrole,4-1h-pyrrol-1-yl benzyl alcohol,4-pyrrol-1-yl phenyl methanol,benzenemethanol,4-1h-pyrrol-1-yl,4-pyrrolylphenyl methan-1-ol,4-1h-pyrrol-1-yl benzylalcohol,pubchem11303,4-pyrrol-1-ylphenyl methanol
IUPAC Name (4-pyrrol-1-ylphenyl)methanol
InChI Key LQQQPLUFBVYLRE-UHFFFAOYSA-N
Molecular Formula C11H11NO
32

2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone, 97%, Thermo Scientific™

CAS: 571159-05-2 Molecular Formula: C14H13Cl2NO Molecular Weight (g/mol): 282.16 MDL Number: MFCD03986069 InChI Key: OYEPFHWXRWTABW-UHFFFAOYSA-N Synonym: 2-chloro-1-1-4-chlorophenyl-2,5-dimethyl-1h-pyrrol-3-yl-1-ethanone,2-chloro-1-1-4-chlorophenyl-2,5-dimethylpyrrol-3-yl ethanone,2-chloro-1-1-4-chlorophenyl-2,5-dimethyl-1h-pyrrol-3-yl ethanone,2-chloro-1-1-4-chlorophenyl-2,5-dimethyl-1h-pyrrol-3-yl ethan-1-one,ethanone,2-chloro-1-1-4-chlorophenyl-2,5-dimethyl-1h-pyrrol-3-yl,2-chloro-1-1-4-chlorophenyl-2,5-dimethylpyrrol-3-yl ethan-1-one PubChem CID: 2060458 IUPAC Name: 2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone SMILES: CC1=CC(C(=O)CCl)=C(C)N1C1=CC=C(Cl)C=C1

PubChem CID 2060458
CAS 571159-05-2
Molecular Weight (g/mol) 282.16
MDL Number MFCD03986069
SMILES CC1=CC(C(=O)CCl)=C(C)N1C1=CC=C(Cl)C=C1
Synonym 2-chloro-1-1-4-chlorophenyl-2,5-dimethyl-1h-pyrrol-3-yl-1-ethanone,2-chloro-1-1-4-chlorophenyl-2,5-dimethylpyrrol-3-yl ethanone,2-chloro-1-1-4-chlorophenyl-2,5-dimethyl-1h-pyrrol-3-yl ethanone,2-chloro-1-1-4-chlorophenyl-2,5-dimethyl-1h-pyrrol-3-yl ethan-1-one,ethanone,2-chloro-1-1-4-chlorophenyl-2,5-dimethyl-1h-pyrrol-3-yl,2-chloro-1-1-4-chlorophenyl-2,5-dimethylpyrrol-3-yl ethan-1-one
IUPAC Name 2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
InChI Key OYEPFHWXRWTABW-UHFFFAOYSA-N
Molecular Formula C14H13Cl2NO
33
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4-(2,5-Dimethyl-1-pyrrolyl)benzonitrile, 98%

CAS: 119516-86-8 Molecular Formula: C13H12N2 Molecular Weight (g/mol): 196.253 InChI Key: FNDFKQYZEDOHRC-UHFFFAOYSA-N Synonym: 1-4-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethylpyrrol-1-yl benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl benzonitrile,2,5-dimethyl-1-4-cyanophenyl pyrrole,n-4'-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethyl-1-pyrrolyl benzonitrile,benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl PubChem CID: 3787857 IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)benzonitrile SMILES: CC1=CC=C(N1C2=CC=C(C=C2)C#N)C

PubChem CID 3787857
CAS 119516-86-8
Molecular Weight (g/mol) 196.253
SMILES CC1=CC=C(N1C2=CC=C(C=C2)C#N)C
Synonym 1-4-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethylpyrrol-1-yl benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl benzonitrile,2,5-dimethyl-1-4-cyanophenyl pyrrole,n-4'-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethyl-1-pyrrolyl benzonitrile,benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl
IUPAC Name 4-(2,5-dimethylpyrrol-1-yl)benzonitrile
InChI Key FNDFKQYZEDOHRC-UHFFFAOYSA-N
Molecular Formula C13H12N2
34
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2,5-Dimethylpyrrole-3-carboxylic acid, 97%

CAS: 57338-76-8 Molecular Formula: C7H9NO2 Molecular Weight (g/mol): 139.154 MDL Number: MFCD00203874 InChI Key: VDVWTJFVFQVCFN-UHFFFAOYSA-N Synonym: 2,5-dimethylpyrrole-3-carboxylic acid,1h-pyrrole-3-carboxylic acid, 2,5-dimethyl,2,5-dimethyl-4-carboxypyrrole,1h-pyrrole-3-carboxylicacid, 2,5-dimethyl PubChem CID: 292957 IUPAC Name: 2,5-dimethyl-1H-pyrrole-3-carboxylic acid SMILES: CC1=CC(=C(N1)C)C(=O)O

PubChem CID 292957
CAS 57338-76-8
Molecular Weight (g/mol) 139.154
MDL Number MFCD00203874
SMILES CC1=CC(=C(N1)C)C(=O)O
Synonym 2,5-dimethylpyrrole-3-carboxylic acid,1h-pyrrole-3-carboxylic acid, 2,5-dimethyl,2,5-dimethyl-4-carboxypyrrole,1h-pyrrole-3-carboxylicacid, 2,5-dimethyl
IUPAC Name 2,5-dimethyl-1H-pyrrole-3-carboxylic acid
InChI Key VDVWTJFVFQVCFN-UHFFFAOYSA-N
Molecular Formula C7H9NO2
35
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Ethyl 4-phenylpyrrole-3-carboxylate, 97%

CAS: 64276-62-6 Molecular Formula: C13H13NO2 Molecular Weight (g/mol): 215.252 MDL Number: MFCD03931521 InChI Key: VNZGRYAVCWGZCT-UHFFFAOYSA-N Synonym: ethyl 4-phenylpyrrole-3-carboxylate,4-phenyl-1h-pyrrole-3-carboxylic acid ethyl ester,4-phenylpyrrole-3-carboxylic acid ethyl ester,acmc-20akyb,3-carboethoxy-4-phenylpyrrole,3-carbethoxy-4-phenylpyrrole,ethyl4-phenyl-1h-pyrrole-3-carboxylate,1h-pyrrole-3-carboxylicacid, 4-phenyl-, ethyl ester PubChem CID: 4154165 IUPAC Name: ethyl 4-phenyl-1H-pyrrole-3-carboxylate SMILES: CCOC(=O)C1=CNC=C1C2=CC=CC=C2

PubChem CID 4154165
CAS 64276-62-6
Molecular Weight (g/mol) 215.252
MDL Number MFCD03931521
SMILES CCOC(=O)C1=CNC=C1C2=CC=CC=C2
Synonym ethyl 4-phenylpyrrole-3-carboxylate,4-phenyl-1h-pyrrole-3-carboxylic acid ethyl ester,4-phenylpyrrole-3-carboxylic acid ethyl ester,acmc-20akyb,3-carboethoxy-4-phenylpyrrole,3-carbethoxy-4-phenylpyrrole,ethyl4-phenyl-1h-pyrrole-3-carboxylate,1h-pyrrole-3-carboxylicacid, 4-phenyl-, ethyl ester
IUPAC Name ethyl 4-phenyl-1H-pyrrole-3-carboxylate
InChI Key VNZGRYAVCWGZCT-UHFFFAOYSA-N
Molecular Formula C13H13NO2
36
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5-Formyl-2,4-dimethylpyrrole-3-carboxylic acid, 96%

CAS: 253870-02-9 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD06202342 InChI Key: YCIHQDVIAISDPS-UHFFFAOYSA-N Synonym: 5-formyl-2,4-dimethylpyrrole-3-carboxylic acid,2,4-dimethyl-5-formylpyrrole-3-carboxylic acid,3,5-dimethyl-2-formylpyrrole-4-carboxylic acid,1h-pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl,5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylicacid,3,5-dimethyl-2-formyl-1h-pyrrole-4-carboxylic acid,3,5-dimethyl-2-formylindole-4-carboxylic acid,zlchem 714,pubchem9414,acmc-209zxq PubChem CID: 11073792 IUPAC Name: 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid SMILES: CC1=C(NC(=C1C(=O)O)C)C=O

PubChem CID 11073792
CAS 253870-02-9
Molecular Weight (g/mol) 167.164
MDL Number MFCD06202342
SMILES CC1=C(NC(=C1C(=O)O)C)C=O
Synonym 5-formyl-2,4-dimethylpyrrole-3-carboxylic acid,2,4-dimethyl-5-formylpyrrole-3-carboxylic acid,3,5-dimethyl-2-formylpyrrole-4-carboxylic acid,1h-pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl,5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylicacid,3,5-dimethyl-2-formyl-1h-pyrrole-4-carboxylic acid,3,5-dimethyl-2-formylindole-4-carboxylic acid,zlchem 714,pubchem9414,acmc-209zxq
IUPAC Name 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
InChI Key YCIHQDVIAISDPS-UHFFFAOYSA-N
Molecular Formula C8H9NO3
37
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1-(2-Aminophenyl)pyrrole, 98+%

CAS: 6025-60-1 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.204 MDL Number: MFCD00005344 InChI Key: GDMZHPUPLWQIBD-UHFFFAOYSA-N Synonym: 1-2-aminophenyl pyrrole,2-1h-pyrrol-1-yl aniline,n-2-aminophenyl pyrrole,2-1h-pyrrol-1-yl phenyl amine,1-2-aminophenyl-1h-pyrrole,2-1-pyrrolyl aniline,benzenamine, 2-1h-pyrrol-1-yl,2-pyrrolylphenylamine,2-pyrrol-1-yl aniline,acmc-20apd3 PubChem CID: 80123 IUPAC Name: 2-pyrrol-1-ylaniline SMILES: C1=CC=C(C(=C1)N)N2C=CC=C2

PubChem CID 80123
CAS 6025-60-1
Molecular Weight (g/mol) 158.204
MDL Number MFCD00005344
SMILES C1=CC=C(C(=C1)N)N2C=CC=C2
Synonym 1-2-aminophenyl pyrrole,2-1h-pyrrol-1-yl aniline,n-2-aminophenyl pyrrole,2-1h-pyrrol-1-yl phenyl amine,1-2-aminophenyl-1h-pyrrole,2-1-pyrrolyl aniline,benzenamine, 2-1h-pyrrol-1-yl,2-pyrrolylphenylamine,2-pyrrol-1-yl aniline,acmc-20apd3
IUPAC Name 2-pyrrol-1-ylaniline
InChI Key GDMZHPUPLWQIBD-UHFFFAOYSA-N
Molecular Formula C10H10N2
38

5-Formyl-2,4-dimethyl-3-pyrrolecarboxylic Acid 98.0+%, TCI America™

CAS: 253870-02-9 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD06202342 InChI Key: YCIHQDVIAISDPS-UHFFFAOYSA-N Synonym: 5-formyl-2,4-dimethylpyrrole-3-carboxylic acid,2,4-dimethyl-5-formylpyrrole-3-carboxylic acid,3,5-dimethyl-2-formylpyrrole-4-carboxylic acid,1h-pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl,5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylicacid,3,5-dimethyl-2-formyl-1h-pyrrole-4-carboxylic acid,3,5-dimethyl-2-formylindole-4-carboxylic acid,zlchem 714,pubchem9414,acmc-209zxq PubChem CID: 11073792 IUPAC Name: 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid SMILES: CC1=C(NC(=C1C(=O)O)C)C=O

PubChem CID 11073792
CAS 253870-02-9
Molecular Weight (g/mol) 167.164
MDL Number MFCD06202342
SMILES CC1=C(NC(=C1C(=O)O)C)C=O
Synonym 5-formyl-2,4-dimethylpyrrole-3-carboxylic acid,2,4-dimethyl-5-formylpyrrole-3-carboxylic acid,3,5-dimethyl-2-formylpyrrole-4-carboxylic acid,1h-pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl,5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylicacid,3,5-dimethyl-2-formyl-1h-pyrrole-4-carboxylic acid,3,5-dimethyl-2-formylindole-4-carboxylic acid,zlchem 714,pubchem9414,acmc-209zxq
IUPAC Name 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
InChI Key YCIHQDVIAISDPS-UHFFFAOYSA-N
Molecular Formula C8H9NO3
39

Sertindole 95.0+%, TCI America™

CAS: 106516-24-9 Molecular Formula: C24H26ClFN4O Molecular Weight (g/mol): 440.95 MDL Number: MFCD00867749 InChI Key: GZKLJWGUPQBVJQ-UHFFFAOYSA-N Synonym: 1-[2-[4-[5-Chloro-1-(4-fluorophenyl)-1H-indol-3-yl]-1-piperidinyl]ethyl]-2-imidazolidinone PubChem CID: 60149 ChEBI: CHEBI:9122 IUPAC Name: 1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]piperidin-1-yl}ethyl)imidazolidin-2-one SMILES: FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=CC(Cl)=CC=C12

PubChem CID 60149
CAS 106516-24-9
Molecular Weight (g/mol) 440.95
ChEBI CHEBI:9122
MDL Number MFCD00867749
SMILES FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=CC(Cl)=CC=C12
Synonym 1-[2-[4-[5-Chloro-1-(4-fluorophenyl)-1H-indol-3-yl]-1-piperidinyl]ethyl]-2-imidazolidinone
IUPAC Name 1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]piperidin-1-yl}ethyl)imidazolidin-2-one
InChI Key GZKLJWGUPQBVJQ-UHFFFAOYSA-N
Molecular Formula C24H26ClFN4O
40

(E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]acrolein 98.0+%, TCI America™

CAS: 93957-50-7 Molecular Formula: C20H18FNO Molecular Weight (g/mol): 307.368 MDL Number: MFCD03840863 InChI Key: DVWHSTKQJBIYCK-VMPITWQZSA-N Synonym: (E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]propenal PubChem CID: 9926593 IUPAC Name: (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal SMILES: CC(C)N1C2=CC=CC=C2C(=C1C=CC=O)C3=CC=C(C=C3)F

PubChem CID 9926593
CAS 93957-50-7
Molecular Weight (g/mol) 307.368
MDL Number MFCD03840863
SMILES CC(C)N1C2=CC=CC=C2C(=C1C=CC=O)C3=CC=C(C=C3)F
Synonym (E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]propenal
IUPAC Name (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal
InChI Key DVWHSTKQJBIYCK-VMPITWQZSA-N
Molecular Formula C20H18FNO
41

5-(2-Fluorophenyl)pyrrole-3-carboxaldehyde 98.0+%, TCI America™

CAS: 881674-56-2 Molecular Formula: C11H8FNO Molecular Weight (g/mol): 189.19 MDL Number: MFCD11875867 InChI Key: MQULPEUCGKEHEG-UHFFFAOYSA-N PubChem CID: 46908593 IUPAC Name: 5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde SMILES: FC1=CC=CC=C1C1=CC(C=O)=CN1

PubChem CID 46908593
CAS 881674-56-2
Molecular Weight (g/mol) 189.19
MDL Number MFCD11875867
SMILES FC1=CC=CC=C1C1=CC(C=O)=CN1
IUPAC Name 5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde
InChI Key MQULPEUCGKEHEG-UHFFFAOYSA-N
Molecular Formula C11H8FNO
42

5-Methoxyindole-3-carboxylic Acid Hydrate 98.0+%, TCI America™

CAS: 10242-01-0 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.186 MDL Number: MFCD03265451 InChI Key: RVVSEZGJCOAUED-UHFFFAOYSA-N Synonym: 5-methoxyindole-3-carboxylic acid,5-methoxy-3-indolecarboxylic acid,5-methoxy-3-carboxyindole,1h-indole-3-carboxylic acid, 5-methoxy,pubchem7984,zlchem 1276,1h-indole-3-carboxylicacid, 5-methoxy,5-methoxyindole-3-carboxylic acid;,5-methoxyindole-3-carboxylic acid 5-methoxy-1h-indazole-3-carboxylic acid PubChem CID: 259191 IUPAC Name: 5-methoxy-1H-indole-3-carboxylic acid SMILES: COC1=CC2=C(C=C1)NC=C2C(=O)O

PubChem CID 259191
CAS 10242-01-0
Molecular Weight (g/mol) 191.186
MDL Number MFCD03265451
SMILES COC1=CC2=C(C=C1)NC=C2C(=O)O
Synonym 5-methoxyindole-3-carboxylic acid,5-methoxy-3-indolecarboxylic acid,5-methoxy-3-carboxyindole,1h-indole-3-carboxylic acid, 5-methoxy,pubchem7984,zlchem 1276,1h-indole-3-carboxylicacid, 5-methoxy,5-methoxyindole-3-carboxylic acid;,5-methoxyindole-3-carboxylic acid 5-methoxy-1h-indazole-3-carboxylic acid
IUPAC Name 5-methoxy-1H-indole-3-carboxylic acid
InChI Key RVVSEZGJCOAUED-UHFFFAOYSA-N
Molecular Formula C10H9NO3
43

2,5-Dimethyl-1-phenylpyrrole 98.0+%, TCI America™

CAS: 83-24-9 Molecular Formula: C12H13N Molecular Weight (g/mol): 171.243 InChI Key: JNXIFVSGXLGULI-UHFFFAOYSA-N Synonym: 2,5-dimethyl-1-phenyl-1h-pyrrole,1h-pyrrole, 2,5-dimethyl-1-phenyl,pyrrole, 2,5-dimethyl-1-phenyl,1-phenyl-2,5-dimethylpyrrole,acmc-1bkez,pyrrole,5-dimethyl-1-phenyl,1h-pyrrole,5-dimethyl-1-phenyl,1-phenyl-2,5-dimethyl-1h-pyrrole,2,5-dimethyl-1-phenyl-1h-pyrrole #,pyrrole, 2,5-dimethyl-1-phenyl-8ci PubChem CID: 66518 IUPAC Name: 2,5-dimethyl-1-phenylpyrrole SMILES: CC1=CC=C(N1C2=CC=CC=C2)C

PubChem CID 66518
CAS 83-24-9
Molecular Weight (g/mol) 171.243
SMILES CC1=CC=C(N1C2=CC=CC=C2)C
Synonym 2,5-dimethyl-1-phenyl-1h-pyrrole,1h-pyrrole, 2,5-dimethyl-1-phenyl,pyrrole, 2,5-dimethyl-1-phenyl,1-phenyl-2,5-dimethylpyrrole,acmc-1bkez,pyrrole,5-dimethyl-1-phenyl,1h-pyrrole,5-dimethyl-1-phenyl,1-phenyl-2,5-dimethyl-1h-pyrrole,2,5-dimethyl-1-phenyl-1h-pyrrole #,pyrrole, 2,5-dimethyl-1-phenyl-8ci
IUPAC Name 2,5-dimethyl-1-phenylpyrrole
InChI Key JNXIFVSGXLGULI-UHFFFAOYSA-N
Molecular Formula C12H13N
44

1-Phenyl-1H-indole 98.0+%, TCI America™

CAS: 16096-33-6 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.249 MDL Number: MFCD00123280 InChI Key: YBFCBQMICVOSRW-UHFFFAOYSA-N PubChem CID: 182029 IUPAC Name: 1-phenylindole SMILES: C1=CC=C(C=C1)N2C=CC3=CC=CC=C32

PubChem CID 182029
CAS 16096-33-6
Molecular Weight (g/mol) 193.249
MDL Number MFCD00123280
SMILES C1=CC=C(C=C1)N2C=CC3=CC=CC=C32
IUPAC Name 1-phenylindole
InChI Key YBFCBQMICVOSRW-UHFFFAOYSA-N
Molecular Formula C14H11N
45

Atorvastatin Acetonide tert-Butyl Ester 98.0+%, TCI America™

CAS: 125971-95-1 Molecular Formula: C40H47FN2O5 Molecular Weight (g/mol): 654.823 MDL Number: MFCD04039904 InChI Key: NPPZOMYSGNZDKY-ROJLCIKYSA-N Synonym: Atorvastatin Acetonide tert-Butyl Ester PubChem CID: 10168503 IUPAC Name: tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate SMILES: CC(C)C1=C(C(=C(N1CCC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

PubChem CID 10168503
CAS 125971-95-1
Molecular Weight (g/mol) 654.823
MDL Number MFCD04039904
SMILES CC(C)C1=C(C(=C(N1CCC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
Synonym Atorvastatin Acetonide tert-Butyl Ester
IUPAC Name tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
InChI Key NPPZOMYSGNZDKY-ROJLCIKYSA-N
Molecular Formula C40H47FN2O5