Vitas-M small molecule compound
ethyl (5Z)-2-{[(2-chlorophenyl)carbonyl]amino}-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL417258
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(cc2)OCC#C)/C1=O)NC(=O)c1ccccc1Cl
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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 C24H18ClNO5S MW 467.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClNO5S/c1-3-13-31-16-11-9-15(10-12-16)14-19-21(27)20(24(29)30-4-2)23(32-19)26-22(28)17-7-5-6-8-18(17)25/h1,5-12,14H,4,13H2,2H3,(H,26,28)/b19-14-InChIKey
SKWPMBRDTLMMSV-RGEXLXHISA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)OCC#C)C1=O)NC(=O)C3=CC=CC=C3Cl
CCOC(=O)C1=C(SC(=Cc2ccc(cc2)OCC#C)C1=O)NC(=O)c1ccccc1Cl
ethyl(5Z)2(((2chlorophenyl)carbonyl)amino)4oxo5(4(prop2yn1yloxy)benzylidene)45dihydrothiophene3carboxylate
ETHYL(5Z)2((2CHLOROBENZOYL)AMINO)4OXO5((4PROP2YNOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
ETHYL2((2CHLOROBENZOYL)AMINO)4OXO5(4(2PROPYNYLOXY)BENZYLIDENE)45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC24H18ClNO5Sc1313311611915(101216)141921(27)20(24(29)3042)23(3219)2622(28)17756818(17)25h151214H413H22H3(H2628)b1914
MFCD03838078
ZINC000008396235
ZINC08396235
ZINC8396235
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