Vitas-M small molecule compound
(2E)-4-{[4-(4-chlorophenyl)-5-methyl-3-(propoxycarbonyl)thiophen-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK453925
SMILES CCCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(c1c1ccc(cc1)Cl)C
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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 C19H18ClNO5S MW 407.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClNO5S/c1-3-10-26-19(25)17-16(12-4-6-13(20)7-5-12)11(2)27-18(17)21-14(22)8-9-15(23)24/h4-9H,3,10H2,1-2H3,(H,21,22)(H,23,24)/b9-8+InChIKey
KWTMGHMITLCYOK-CMDGGOBGSA-NSynonyms
(2E)3(N(4(4CHLOROPHENYL)5METHYL3(PROPOXYCARBONYL)(2THIENYL))CARBAMOYL)PROP2ENOICACID
(2E)4((4(4chlorophenyl)5methyl3(propoxycarbonyl)thiophen2yl)amino)4oxobut2enoicacid
(E)4((4(4chlorophenyl)5methyl3propoxycarbonylthiophen2yl)amino)4oxobut2enoicacid
CCCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C=CC(=O)O
CCCOC(=O)c1c(NC(=O)C=CC(=O)O)sc(c1c1ccc(cc1)Cl)C
InChI=1SC19H18ClNO5Sc13102619(25)1716(124613(20)7512)11(2)2718(17)2114(22)8915(23)24h49H310H212H3(H2122)(H2324)b98+
MFCD02853403
ZINC000005591251
ZINC5591251
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