Organoheterocyclic compounds
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Ethylene chlorophosphate, 95%, Thermo Scientific Chemicals
CAS: 6609-64-9 Molecular Formula: C2H4ClO3P Molecular Weight (g/mol): 142.475 MDL Number: MFCD00043138 InChI Key: SBMUNILHNJLMBF-UHFFFAOYSA-N Synonym: 2-chloro-2-oxo-1,3,2-dioxaphospholane,ethylene chlorophosphate,2-chloro-1,3,2-dioxaphospholane-2-oxide,2-chloro-1,3,2-dioxaphospholane 2-oxide,ethylene glycol chlorophosphate,soqdebhb^bsvusup@,2-chloro-1,3,2??-dioxaphospholan-2-one,2-chlor-1,3,2-dioxaphospholan-2-oxid,acmc-1b2u0,ethylene cycl-chlorophosphate PubChem CID: 81087 IUPAC Name: 2-chloro-1,3,2$l^{5}-dioxaphospholane 2-oxide SMILES: C1COP(=O)(O1)Cl
| PubChem CID | 81087 |
|---|---|
| CAS | 6609-64-9 |
| Molecular Weight (g/mol) | 142.475 |
| MDL Number | MFCD00043138 |
| SMILES | C1COP(=O)(O1)Cl |
| Synonym | 2-chloro-2-oxo-1,3,2-dioxaphospholane,ethylene chlorophosphate,2-chloro-1,3,2-dioxaphospholane-2-oxide,2-chloro-1,3,2-dioxaphospholane 2-oxide,ethylene glycol chlorophosphate,soqdebhb^bsvusup@,2-chloro-1,3,2??-dioxaphospholan-2-one,2-chlor-1,3,2-dioxaphospholan-2-oxid,acmc-1b2u0,ethylene cycl-chlorophosphate |
| IUPAC Name | 2-chloro-1,3,2$l^{5}-dioxaphospholane 2-oxide |
| InChI Key | SBMUNILHNJLMBF-UHFFFAOYSA-N |
| Molecular Formula | C2H4ClO3P |
Isopropylidene malonate, 97%
CAS: 2033-24-1 Molecular Formula: C6H8O4 Molecular Weight (g/mol): 144.126 MDL Number: MFCD00006638 InChI Key: GXHFUVWIGNLZSC-UHFFFAOYSA-N Synonym: meldrum's acid,isopropylidene malonate,meldrums acid,1,3-dioxane-4,6-dione, 2,2-dimethyl,sub-isopropyl malonate,2,2-dimethyl-1,3-dioxan-4,6-dione,cycl-isopropylidene malonate,cyclic isopropylidene malonate,malonic acid cyclic isopropylidene ester,meldrum acid PubChem CID: 16249 IUPAC Name: 2,2-dimethyl-1,3-dioxane-4,6-dione SMILES: CC1(OC(=O)CC(=O)O1)C
| PubChem CID | 16249 |
|---|---|
| CAS | 2033-24-1 |
| Molecular Weight (g/mol) | 144.126 |
| MDL Number | MFCD00006638 |
| SMILES | CC1(OC(=O)CC(=O)O1)C |
| Synonym | meldrum's acid,isopropylidene malonate,meldrums acid,1,3-dioxane-4,6-dione, 2,2-dimethyl,sub-isopropyl malonate,2,2-dimethyl-1,3-dioxan-4,6-dione,cycl-isopropylidene malonate,cyclic isopropylidene malonate,malonic acid cyclic isopropylidene ester,meldrum acid |
| IUPAC Name | 2,2-dimethyl-1,3-dioxane-4,6-dione |
| InChI Key | GXHFUVWIGNLZSC-UHFFFAOYSA-N |
| Molecular Formula | C6H8O4 |
(S)-1,2,3,4-Tetrahydroisoquinolylmethan-3-ol, 98%, Thermo Scientific™
CAS: 18881-17-9 Molecular Formula: C10H13NO Molecular Weight (g/mol): 163.22 MDL Number: MFCD01631316 InChI Key: ZSKDXMLMMQFHGW-JTQLQIEISA-N Synonym: s-1,2,3,4-tetrahydroisoquinoline-3-methanol,3s-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol,s-1,2,3,4-tetrahydroisoquinolin-3-yl methanol,3s-1,2,3,4-tetrahydroisoquinolin-3-yl methanol,chembl61489,s-1,2,3,4-tetrahydroisoquinolin-3-yl-methanol,s---1,2,3,4-tetrahydro-3-isoquinolinemethanol,s-3-hydroxymethyl-1,2,3,4-tetrahydroisoquinoline,3-isoquinolinemethanol, 1,2,3,4-tetrahydro-, s,s-1,2,3,4-tetrahydroisoquinolylmethan-3-ol PubChem CID: 776757 IUPAC Name: [(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol SMILES: C1C(NCC2=CC=CC=C21)CO
| PubChem CID | 776757 |
|---|---|
| CAS | 18881-17-9 |
| Molecular Weight (g/mol) | 163.22 |
| MDL Number | MFCD01631316 |
| SMILES | C1C(NCC2=CC=CC=C21)CO |
| Synonym | s-1,2,3,4-tetrahydroisoquinoline-3-methanol,3s-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol,s-1,2,3,4-tetrahydroisoquinolin-3-yl methanol,3s-1,2,3,4-tetrahydroisoquinolin-3-yl methanol,chembl61489,s-1,2,3,4-tetrahydroisoquinolin-3-yl-methanol,s---1,2,3,4-tetrahydro-3-isoquinolinemethanol,s-3-hydroxymethyl-1,2,3,4-tetrahydroisoquinoline,3-isoquinolinemethanol, 1,2,3,4-tetrahydro-, s,s-1,2,3,4-tetrahydroisoquinolylmethan-3-ol |
| IUPAC Name | [(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol |
| InChI Key | ZSKDXMLMMQFHGW-JTQLQIEISA-N |
| Molecular Formula | C10H13NO |
Meloxicam, USP, 98-102%, Spectrum™ Chemical
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CAS: 71125-38-7 Molecular Formula: C14H13N3O4S2 Molecular Weight (g/mol): 351.40 MDL Number: MFCD00868752 InChI Key: DWMREKMVXIFPFM-ACCUITESSA-N IUPAC Name: (3E)-3-{hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine-1,1,4-trione SMILES: CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O
| CAS | 71125-38-7 |
|---|---|
| Molecular Weight (g/mol) | 351.40 |
| MDL Number | MFCD00868752 |
| SMILES | CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O |
| IUPAC Name | (3E)-3-{hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ6,2-benzothiazine-1,1,4-trione |
| InChI Key | DWMREKMVXIFPFM-ACCUITESSA-N |
| Molecular Formula | C14H13N3O4S2 |
5-Bromo-2-nitropyridine, 98+%, Thermo Scientific Chemicals
CAS: 39856-50-3 Molecular Formula: C5H3BrN2O2 Molecular Weight (g/mol): 203.00 MDL Number: MFCD00160411 InChI Key: ATXXLNCPVSUCNK-UHFFFAOYSA-N Synonym: 2-nitro-5-bromopyridine,pyridine, 5-bromo-2-nitro,2-nitro-5-bromo pyridine,5-bromo-2-nitro-pyridine,5-brom-2-nitropyridin,pubchem6691,5-bromo2-nitropyridine,5-bromo-2-nitropyridin,3-bromo-6-nitro pyridine,5-bromo-2-nitro pyridine PubChem CID: 817620 IUPAC Name: 5-bromo-2-nitropyridine SMILES: [O-][N+](=O)C1=CC=C(Br)C=N1
| PubChem CID | 817620 |
|---|---|
| CAS | 39856-50-3 |
| Molecular Weight (g/mol) | 203.00 |
| MDL Number | MFCD00160411 |
| SMILES | [O-][N+](=O)C1=CC=C(Br)C=N1 |
| Synonym | 2-nitro-5-bromopyridine,pyridine, 5-bromo-2-nitro,2-nitro-5-bromo pyridine,5-bromo-2-nitro-pyridine,5-brom-2-nitropyridin,pubchem6691,5-bromo2-nitropyridine,5-bromo-2-nitropyridin,3-bromo-6-nitro pyridine,5-bromo-2-nitro pyridine |
| IUPAC Name | 5-bromo-2-nitropyridine |
| InChI Key | ATXXLNCPVSUCNK-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrN2O2 |
Meloxicam
CAS: 71125-38-7 Molecular Formula: C14H13N3O4S2 Molecular Weight (g/mol): 351.40 MDL Number: MFCD00868752 InChI Key: DWMREKMVXIFPFM-ACCUITESSA-N Synonym: meloxicam,mobic,metacam,movalis,meloxicamum,mobicox,mobec,meloxicam mobic,movatec,parocin PubChem CID: 54677470 ChEBI: CHEBI:6741 IUPAC Name: (3E)-3-{hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1,4-trione SMILES: CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O
| PubChem CID | 54677470 |
|---|---|
| CAS | 71125-38-7 |
| Molecular Weight (g/mol) | 351.40 |
| ChEBI | CHEBI:6741 |
| MDL Number | MFCD00868752 |
| SMILES | CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O |
| Synonym | meloxicam,mobic,metacam,movalis,meloxicamum,mobicox,mobec,meloxicam mobic,movatec,parocin |
| IUPAC Name | (3E)-3-{hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1,4-trione |
| InChI Key | DWMREKMVXIFPFM-ACCUITESSA-N |
| Molecular Formula | C14H13N3O4S2 |
3,5-Pyridinedicarboxylic acid, 98%
CAS: 499-81-0 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00006393 InChI Key: MPFLRYZEEAQMLQ-UHFFFAOYSA-N Synonym: 3,5-pyridinedicarboxylic acid,dinicotinic acid,5-carboxynicotinic acid,3,5-pyridinedicarboxylicacid,3,5-pyridindicarbons,3,5-dipyridinecarboxylic acid,pubchem8057,acmc-209kjb,5-carboxy nicotinic acid,pyridine carboxylate, 6f PubChem CID: 10366 ChEBI: CHEBI:46875 IUPAC Name: pyridine-3,5-dicarboxylic acid SMILES: OC(=O)C1=CC(=CN=C1)C(O)=O
| PubChem CID | 10366 |
|---|---|
| CAS | 499-81-0 |
| Molecular Weight (g/mol) | 167.12 |
| ChEBI | CHEBI:46875 |
| MDL Number | MFCD00006393 |
| SMILES | OC(=O)C1=CC(=CN=C1)C(O)=O |
| Synonym | 3,5-pyridinedicarboxylic acid,dinicotinic acid,5-carboxynicotinic acid,3,5-pyridinedicarboxylicacid,3,5-pyridindicarbons,3,5-dipyridinecarboxylic acid,pubchem8057,acmc-209kjb,5-carboxy nicotinic acid,pyridine carboxylate, 6f |
| IUPAC Name | pyridine-3,5-dicarboxylic acid |
| InChI Key | MPFLRYZEEAQMLQ-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |
1-Boc-3-hydroxypiperidine, 97%
CAS: 85275-45-2 Molecular Formula: C10H19NO3 Molecular Weight (g/mol): 201.266 MDL Number: MFCD02093938 InChI Key: UIJXHKXIOCDSEB-UHFFFAOYSA-N Synonym: 1-boc-3-hydroxypiperidine,1-n-boc-3-hydroxy-piperidine,1-boc-3-hydroxy-piperidine,n-boc-3-piperidinol,n-boc-3-hydroxypiperidine,1-tert-butoxycarbonyl-3-hydroxy piperidine,boc-3-hydroxypiperidine,n-tert-butoxycarbonyl-3-piperidinol,n-boc-3-hydroxy piperidine,3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester PubChem CID: 545699 IUPAC Name: tert-butyl 3-hydroxypiperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC(C1)O
| PubChem CID | 545699 |
|---|---|
| CAS | 85275-45-2 |
| Molecular Weight (g/mol) | 201.266 |
| MDL Number | MFCD02093938 |
| SMILES | CC(C)(C)OC(=O)N1CCCC(C1)O |
| Synonym | 1-boc-3-hydroxypiperidine,1-n-boc-3-hydroxy-piperidine,1-boc-3-hydroxy-piperidine,n-boc-3-piperidinol,n-boc-3-hydroxypiperidine,1-tert-butoxycarbonyl-3-hydroxy piperidine,boc-3-hydroxypiperidine,n-tert-butoxycarbonyl-3-piperidinol,n-boc-3-hydroxy piperidine,3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 3-hydroxypiperidine-1-carboxylate |
| InChI Key | UIJXHKXIOCDSEB-UHFFFAOYSA-N |
| Molecular Formula | C10H19NO3 |
Guanine, 98%
CAS: 73-40-5 Molecular Formula: C5H5N5O Molecular Weight (g/mol): 151.13 MDL Number: MFCD00071533 InChI Key: UYTPUPDQBNUYGX-UHFFFAOYSA-N Synonym: guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence PubChem CID: 764 ChEBI: CHEBI:16235 SMILES: NC1=NC(=O)C2=C(N1)N=CN2
| PubChem CID | 764 |
|---|---|
| CAS | 73-40-5 |
| Molecular Weight (g/mol) | 151.13 |
| ChEBI | CHEBI:16235 |
| MDL Number | MFCD00071533 |
| SMILES | NC1=NC(=O)C2=C(N1)N=CN2 |
| Synonym | guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence |
| InChI Key | UYTPUPDQBNUYGX-UHFFFAOYSA-N |
| Molecular Formula | C5H5N5O |
Dihydroergocristine methanesulfonate, Thermo Scientific Chemicals
CAS: 24730-10-7 Molecular Formula: C36H45N5O8S Molecular Weight (g/mol): 707.843 MDL Number: MFCD00153792 InChI Key: SPXACGZWWVIDGR-SPZWACKZSA-N Synonym: dihydroergocristine mesylate,dihydroergocristinmesilat,unii-ds7cl18uam,dihydroergocristine mesilate,9,10-dihydroergocristine methanesulfonate,ds7cl18uam,dihydroergocristine methanesulfonate,dihydroergocristine methanesulfonate salt,5'alpha-benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate,diertine tn PubChem CID: 444034 ChEBI: CHEBI:31490 SMILES: CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
| PubChem CID | 444034 |
|---|---|
| CAS | 24730-10-7 |
| Molecular Weight (g/mol) | 707.843 |
| ChEBI | CHEBI:31490 |
| MDL Number | MFCD00153792 |
| SMILES | CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O |
| Synonym | dihydroergocristine mesylate,dihydroergocristinmesilat,unii-ds7cl18uam,dihydroergocristine mesilate,9,10-dihydroergocristine methanesulfonate,ds7cl18uam,dihydroergocristine methanesulfonate,dihydroergocristine methanesulfonate salt,5'alpha-benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate,diertine tn |
| InChI Key | SPXACGZWWVIDGR-SPZWACKZSA-N |
| Molecular Formula | C36H45N5O8S |
Cytochalasin B
CAS: 14930-96-2 Molecular Formula: C29H37NO5 Molecular Weight (g/mol): 479.62 MDL Number: MFCD00077704 InChI Key: GBOGMAARMMDZGR-UHFFFAOYNA-N Synonym: cytochalasin b,cytochalasin b from helminthosporium dematioideum PubChem CID: 44634701 IUPAC Name: 16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-2H,5H,6H,7H,8H,9H,10H,12aH,13H,14H,15H,15aH,16H,17H,18H-oxacyclotetradeca[3,2-e]isoindole-2,18-dione SMILES: CC1C2C(CC3=CC=CC=C3)NC(=O)C22OC(=O)C=CC(O)CCCC(C)CC=CC2C(O)C1=C
| PubChem CID | 44634701 |
|---|---|
| CAS | 14930-96-2 |
| Molecular Weight (g/mol) | 479.62 |
| MDL Number | MFCD00077704 |
| SMILES | CC1C2C(CC3=CC=CC=C3)NC(=O)C22OC(=O)C=CC(O)CCCC(C)CC=CC2C(O)C1=C |
| Synonym | cytochalasin b,cytochalasin b from helminthosporium dematioideum |
| IUPAC Name | 16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-2H,5H,6H,7H,8H,9H,10H,12aH,13H,14H,15H,15aH,16H,17H,18H-oxacyclotetradeca[3,2-e]isoindole-2,18-dione |
| InChI Key | GBOGMAARMMDZGR-UHFFFAOYNA-N |
| Molecular Formula | C29H37NO5 |
| CAS | 6322-07-2 |
|---|---|
| MDL Number | MFCD00005391 |
2-(Methylthio)nicotinic acid, 98+%
CAS: 74470-23-8 Molecular Formula: C7H7NO2S Molecular Weight (g/mol): 169.198 MDL Number: MFCD00010101 InChI Key: COPSJQVPEUUOKY-UHFFFAOYSA-N Synonym: 2-methylthio nicotinic acid,2-methylsulfanyl nicotinic acid,2-methylsulfanyl pyridine-3-carboxylic acid,2-methylthio pyridine-3-carboxylic acid,3-pyridinecarboxylic acid, 2-methylthio,2-methylthio-3-pyridinecarboxylic acid,2-methylmercapto nicotinic acid,2-methylthiopyridine-3-carboxylic acid,acmc-20aomm,maybridge1_001445 PubChem CID: 262400 IUPAC Name: 2-methylsulfanylpyridine-3-carboxylic acid SMILES: CSC1=C(C=CC=N1)C(=O)O
| PubChem CID | 262400 |
|---|---|
| CAS | 74470-23-8 |
| Molecular Weight (g/mol) | 169.198 |
| MDL Number | MFCD00010101 |
| SMILES | CSC1=C(C=CC=N1)C(=O)O |
| Synonym | 2-methylthio nicotinic acid,2-methylsulfanyl nicotinic acid,2-methylsulfanyl pyridine-3-carboxylic acid,2-methylthio pyridine-3-carboxylic acid,3-pyridinecarboxylic acid, 2-methylthio,2-methylthio-3-pyridinecarboxylic acid,2-methylmercapto nicotinic acid,2-methylthiopyridine-3-carboxylic acid,acmc-20aomm,maybridge1_001445 |
| IUPAC Name | 2-methylsulfanylpyridine-3-carboxylic acid |
| InChI Key | COPSJQVPEUUOKY-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2S |
4-Chloropyridine-2-carboxamide, 97%
CAS: 99586-65-9 Molecular Formula: C6H5ClN2O Molecular Weight (g/mol): 156.569 MDL Number: MFCD01085339 InChI Key: XIHHOUUTBZSYJH-UHFFFAOYSA-N Synonym: 4-chloropicolinamide,4-chloro-pyridine-2-carboxylic acid amide,4-chloro-2-pyridinecarboxamide,4-chlorophcolinamide,4-chloropyridine-2-carboxylic acid amide,2-pyridinecarboxamide, 4-chloro,4-chloro-pyridine-2-carboxylicacidamide,pubchem9223,acmc-209sda,ksc486q9h PubChem CID: 303543 IUPAC Name: 4-chloropyridine-2-carboxamide SMILES: C1=CN=C(C=C1Cl)C(=O)N
| PubChem CID | 303543 |
|---|---|
| CAS | 99586-65-9 |
| Molecular Weight (g/mol) | 156.569 |
| MDL Number | MFCD01085339 |
| SMILES | C1=CN=C(C=C1Cl)C(=O)N |
| Synonym | 4-chloropicolinamide,4-chloro-pyridine-2-carboxylic acid amide,4-chloro-2-pyridinecarboxamide,4-chlorophcolinamide,4-chloropyridine-2-carboxylic acid amide,2-pyridinecarboxamide, 4-chloro,4-chloro-pyridine-2-carboxylicacidamide,pubchem9223,acmc-209sda,ksc486q9h |
| IUPAC Name | 4-chloropyridine-2-carboxamide |
| InChI Key | XIHHOUUTBZSYJH-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClN2O |
6-Bromo-7-azaindole, 96%
CAS: 143468-13-7 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.035 MDL Number: MFCD06659667 InChI Key: LKXJGVGBEDEAAW-UHFFFAOYSA-N PubChem CID: 11159915 IUPAC Name: 6-bromo-1H-pyrrolo[2,3-b]pyridine SMILES: C1=CC(=NC2=C1C=CN2)Br
| PubChem CID | 11159915 |
|---|---|
| CAS | 143468-13-7 |
| Molecular Weight (g/mol) | 197.035 |
| MDL Number | MFCD06659667 |
| SMILES | C1=CC(=NC2=C1C=CN2)Br |
| IUPAC Name | 6-bromo-1H-pyrrolo[2,3-b]pyridine |
| InChI Key | LKXJGVGBEDEAAW-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrN2 |