Vitas-M small molecule compound
(2E)-4-{[4-(2-chlorophenyl)-3-(methoxycarbonyl)thiophen-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK424341
SMILES COC(=O)c1c(scc1c1ccccc1Cl)NC(=O)/C=C/C(=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C16H12ClNO5S MW 365.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClNO5S/c1-23-16(22)14-10(9-4-2-3-5-11(9)17)8-24-15(14)18-12(19)6-7-13(20)21/h2-8H,1H3,(H,18,19)(H,20,21)/b7-6+InChIKey
PHMLWENPEMDTQA-VOTSOKGWSA-NSynonyms
(2E)3(N(4(2CHLOROPHENYL)3(METHOXYCARBONYL)(2THIENYL))CARBAMOYL)PROP2ENOICACID
(2E)4((4(2chlorophenyl)3(methoxycarbonyl)thiophen2yl)amino)4oxobut2enoicacid
(E)4((4(2CHLOROPHENYL)3METHOXYCARBONYLTHIOPHEN2YL)AMINO)4OXOBUT2ENOICACID
COC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)C=CC(=O)O
COC(=O)c1c(scc1c1ccccc1Cl)NC(=O)C=CC(=O)O
InChI=1SC16H12ClNO5Sc12316(22)1410(9423511(9)17)82415(14)1812(19)6713(20)21h28H1H3(H1819)(H2021)b76+
MFCD01923921
ZINC000005101219
ZINC5101219
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