Organoheterocyclic compounds
Thermo Scientific Chemicals 2',3'-O-Isopropylideneadenosine, 98%
CAS: 362-75-4 Molecular Formula: C13H17N5O4 Molecular Weight (g/mol): 307.31 MDL Number: MFCD00005756 InChI Key: LCCLUOXEZAHUNS-AUWRGFAENA-N Synonym: 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185 PubChem CID: 2723654 IUPAC Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol SMILES: CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12
3,5-Pyrazoledicarboxylic acid monohydrate, 97%
CAS: 303180-11-2 Molecular Formula: C5H4N2O4·H2O Molecular Weight (g/mol): 174.11 MDL Number: MFCD00149323 InChI Key: GLINCONFUZIMCN-UHFFFAOYSA-N Synonym: 3,5-pyrazoledicarboxylic acid,pyrazole-3,5-dicarboxylic acid,pyrazole-3,5-dicarboxylic acid monohydrate,3,5-pyrazol dicarboxylic acid,3,5-pyrazole dicarboxylic acid,zlchem 726,3,5-dicarboxypyrazole,acmc-20a0hc,ksc223c6j,3,5-pyrazole-dicarboxylic acid PubChem CID: 76559 SMILES: O.OC(=O)C1=CC(=NN1)C(O)=O
1-Benzyl-3-methyl-4-piperidone, 99%
CAS: 34737-89-8 Molecular Formula: C13H17NO Molecular Weight (g/mol): 203.28 MDL Number: MFCD00044806 InChI Key: OVQAJYCAXPHYNV-UHFFFAOYSA-N Synonym: 1-benzyl-3-methyl-4-piperidone,4-piperidinone, 3-methyl-1-phenylmethyl,1-benzyl-3-methyl-4-piperidinone,4-piperidone, 1-benzyl-3-methyl,n-benzyl-3-methyl-4-piperidone,3-methyl-1-phenylmethyl-4-piperidinone,3-methyl-1-benzylpiperidin-4-one,ksc506m4r,1-benzyl-3-methyl-piperidin-4one,1-benzyl-3-methyl-piperidin4-one PubChem CID: 560965 IUPAC Name: 1-benzyl-3-methylpiperidin-4-one SMILES: CC1CN(CCC1=O)CC2=CC=CC=C2
4,6-Dichloro-2-(methylthio)pyrimidine, 98%
CAS: 6299-25-8 Molecular Formula: C5H4Cl2N2S Molecular Weight (g/mol): 195.07 MDL Number: MFCD00006086 InChI Key: FCMLONIWOAGZJX-UHFFFAOYSA-N Synonym: 4,6-dichloro-2-methylthio pyrimidine,4,6-dichloro-2-methylmercaptopyrimidine,4,6-dichloro-2-methylsulfanyl-pyrimidine,4,6-dichloro-2-methylthiopyrimidine,pyrimidine, 4,6-dichloro-2-methylthio,4,6-dichloro-2-methylsulfanyl pyrimidine,4,6-dichloropyrimidine methyl sulphide,2-methylthio-4,6-dichloropyrimidine,pubchem21477 PubChem CID: 80531 IUPAC Name: 4,6-dichloro-2-methylsulfanylpyrimidine SMILES: CSC1=NC(=CC(=N1)Cl)Cl
2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine, 97%
CAS: 1513-69-5 Molecular Formula: C5H4F3N3O Molecular Weight (g/mol): 179.102 MDL Number: MFCD00068093 InChI Key: ZEPSVMLZBXDPGU-UHFFFAOYSA-N Synonym: 2-amino-4-hydroxy-6-trifluoromethyl pyrimidine,2-amino-6-trifluoromethyl pyrimidin-4-ol,2-amino-6-trifluoromethyl-pyrimidin-4-ol,2-amino-6-trifluoromethyl-1h-pyrimidin-4-one,2-amino-4-hydroxy-6-trifluoromethylpyrimidine,2-amino-4-hydroxy-6-trifluoromethyl-pyrimidine,4 1h-pyrimidinone, 2-amino-6-trifluoromethyl,pubchem6976,acmc-1bvtd,maybridge1_007193 PubChem CID: 233891 IUPAC Name: 2-amino-6-(trifluoromethyl)-1H-pyrimidin-4-one SMILES: C1=C(NC(=NC1=O)N)C(F)(F)F
5-Mercapto-1-methyltetrazole, 98%
CAS: 13183-79-4 Molecular Formula: C2H4N4S Molecular Weight (g/mol): 116.14 MDL Number: MFCD00037317 InChI Key: XOHZHMUQBFJTNH-UHFFFAOYSA-N Synonym: 5-mercapto-1-methyltetrazole,1-methyl-5-mercaptotetrazole,1-methyl-1h-tetrazole-5-thiol,1-n-methyl-5-thiotetrazole,1-methyltetrazole-5-thiol,n-methyltetrazolethiol,1-methyl-5-tetrazolethione,1-methyl-5-mercapto-1h-tetrazole,1-methyl-5-mercapto-1,2,3,4-tetrazole,5h-tetrazole-5-thione, 1,2-dihydro-1-methyl PubChem CID: 2723772 IUPAC Name: 1-methyl-2H-tetrazole-5-thione SMILES: CN1NN=NC1=S
2-Mercapto-4-methylpyrimidine hydrochloride, 99%
CAS: 6959-66-6 Molecular Formula: C5H7ClN2S Molecular Weight (g/mol): 162.635 MDL Number: MFCD00012783 InChI Key: UQJLPBLXSJWAKG-UHFFFAOYSA-N Synonym: 2-mercapto-4-methylpyrimidine hydrochloride,4-methylpyrimidine-2-thiol hydrochloride,4-methylpyrimidine-2 1h-thione hydrochloride,6-methyl-1,2-dihydropyrimidine-2-thione hydrochloride,4-methylpyrimidine-2-thiol hcl,2 1h-pyrimidinethione, 4-methyl-, monohydrochloride,c5h6n2s.clh,2-mercapto-4-methyl pyrimidine hydrochloride,pubchem21990,acmc-1b3ky PubChem CID: 2723697 IUPAC Name: 6-methyl-1H-pyrimidine-2-thione;hydrochloride SMILES: CC1=CC=NC(=S)N1.Cl
4,6-Dihydroxypyrimidine, 98%
CAS: 1193-24-4 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00016733 InChI Key: DUFGYCAXVIUXIP-UHFFFAOYSA-N Synonym: 4,6-dihydroxypyrimidine,pyrimidine-4,6-diol,4,6-pyrimidinediol,6-hydroxy-4 1h-pyrimidinone,4 1h-pyrimidinone, 6-hydroxy,4 3h-pyrimidinone, 6-hydroxy,6-hydroxypyrimidin-4 3h-one,6-hydroxy-1h-pyrimidin-4-one,4,6-dihydroxypyrimidin,6-hydroxy-4-pyrimidinone PubChem CID: 14512 SMILES: OC1=CC(=O)NC=N1
3-Aminoisoxazole, 95%
CAS: 1750-42-1 Molecular Formula: C3H4N2O Molecular Weight (g/mol): 84.08 MDL Number: MFCD00038814 InChI Key: RHFWLPWDOYJEAL-UHFFFAOYSA-N Synonym: 3-aminoisoxazole,isoxazol-3-amine,3-isoxazolamine,3-amino isoxazole,isoxazolamine,3-amineisoxazole,aminoisoxazole,3-aminoisoxazol,3-amino-1,2-oxazole,amino-isoxazole PubChem CID: 1810216 IUPAC Name: 1,2-oxazol-3-amine SMILES: C1=CON=C1N
Thiophene, 99+%, extra pure
CAS: 110-02-1 Molecular Formula: C4H4S Molecular Weight (g/mol): 84.14 MDL Number: MFCD00005413 InChI Key: YTPLMLYBLZKORZ-UHFFFAOYSA-N Synonym: thiofuran,thiole,thiophen,thiotetrole,thiacyclopentadiene,divinylene sulfide,thiaphene,thiofuram,thiofurfuran,furan, thio PubChem CID: 8030 ChEBI: CHEBI:30856 IUPAC Name: thiophene SMILES: S1C=CC=C1
1-(3-Chlorophenyl)piperazine monohydrochloride, 97%, Thermo Scientific Chemicals
CAS: 13078-15-4 Molecular Formula: C10H14Cl2N2 Molecular Weight (g/mol): 233.14 MDL Number: MFCD00039032,MFCD00012764 InChI Key: MHXPYWFZULXYHT-UHFFFAOYSA-N Synonym: 1-3-chlorophenyl piperazine hydrochloride,m-cpp hydrochloride,1-3-chlorophenyl piperazine monohydrochloride,unii-7im2gs7ilv,1-3-chlorophenyl piperazinium chloride,piperazine, 1-3-chlorophenyl-, monohydrochloride,1-m-chlorophenyl piperazine hcl,m-chlorophenylpiperazine hydrochloride,7im2gs7ilv,1-m-chlorophenyl piperazine hydrochloride PubChem CID: 25681 IUPAC Name: hydrogen 1-(3-chlorophenyl)piperazine chloride SMILES: [H+].[Cl-].ClC1=CC=CC(=C1)N1CCNCC1
Ethyl indole-3-acetate, 98+%
CAS: 778-82-5 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00005635 InChI Key: HUDBDWIQSIGUDI-UHFFFAOYSA-N Synonym: ethyl 3-indoleacetate,ethyl 2-1h-indol-3-yl acetate,indole-3-acetic acid ethyl ester,ethyl indole-3-acetate,ethyl indol-3-ylacetate,1h-indole-3-acetic acid, ethyl ester,ethyl 1h-indol-3-ylacetate,indole-3-acetic acid, ethyl ester,ethyl beta-indolylacetate,ethyl3-indoleacetate PubChem CID: 13067 IUPAC Name: ethyl 2-(1H-indol-3-yl)acetate SMILES: CCOC(=O)CC1=CNC2=CC=CC=C21
Methyl 5-nitro-2-furoate, 97%
CAS: 1874-23-3 Molecular Formula: C6H5NO5 Molecular Weight (g/mol): 171.108 MDL Number: MFCD00051956 InChI Key: UTLKCGPAJUYGOM-UHFFFAOYSA-N Synonym: methyl 5-nitro-2-furoate,methyl nitrofuroate,methyl 5-nitrofuroate,5-nitro-2-furoic acid methyl ester,methyl 5-nitropyromucate,methyl 5-nitro-2-furancarboxylate,unii-71qm4e6j90,ccris 2152,5-nitro-2-furancarboxylic acid methyl ester,2-furancarboxylic acid, 5-nitro-, methyl ester PubChem CID: 94882 IUPAC Name: methyl 5-nitrofuran-2-carboxylate SMILES: COC(=O)C1=CC=C(O1)[N+](=O)[O-]
5-Bromouracil, 98+%
CAS: 51-20-7 Molecular Formula: C4H3BrN2O2 Molecular Weight (g/mol): 190.98 MDL Number: MFCD00006017 InChI Key: LQLQRFGHAALLLE-UHFFFAOYSA-N Synonym: 5-bromouracil,bromouracil,uracil, 5-bromo,5-bromopyrimidine-2,4 1h,3h-dione,5-bromo-2,4 1h,3h-pyrimidinedione,5-bromo-2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione, 5-bromo,5-bromopyrimidine-2,4-diol,unii-4hk400g5uo,5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 5802 ChEBI: CHEBI:20552 IUPAC Name: 5-bromo-1H-pyrimidine-2,4-dione SMILES: BrC1=CNC(=O)NC1=O
5-Bromo-2-furoic acid, 99%
CAS: 585-70-6 Molecular Formula: C5H3BrO3 Molecular Weight (g/mol): 190.98 MDL Number: MFCD00003239 InChI Key: YVTQHZDUDUCGRD-UHFFFAOYSA-N Synonym: 5-bromo-2-furoic acid,5-bromofuroic acid,5-bromo-furan-2-carboxylic acid,5-bromo-2-furancarboxylic acid,2-furancarboxylic acid, 5-bromo,5-bromo-2-furanecarboxylic acid,5-bromo furan-2-carboxylic acid,2-furoic acid, 5-bromo,t5oj bvq ee,5-bromofuroic?acid PubChem CID: 68511 IUPAC Name: 5-bromofuran-2-carboxylic acid SMILES: C1=C(OC(=C1)Br)C(=O)O