Vitas-M small molecule compound
ethyl (5Z)-5-[3-(benzyloxy)benzylidene]-2-[(3-chlorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK093007
SMILES CCOC(=O)C1=C(Nc2cccc(c2)Cl)S/C(=C\c2cccc(c2)OCc2ccccc2)/C1=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 C27H22ClNO4S MW 491.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClNO4S/c1-2-32-27(31)24-25(30)23(34-26(24)29-21-12-7-11-20(28)16-21)15-19-10-6-13-22(14-19)33-17-18-8-4-3-5-9-18/h3-16,29H,2,17H2,1H3/b23-15-InChIKey
SOCVGDVMMZWPPK-HAHDFKILSA-NSynonyms
CCOC(=O)C1=C(Nc2cccc(c2)Cl)SC(=Cc2cccc(c2)OCc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)C1=O)NC4=CC(=CC=C4)Cl
ETHYL(5Z)2(3CHLOROANILINO)4OXO5((3PHENYLMETHOXYPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
ETHYL(5Z)5(3(BENZYLOXY)BENZYLIDENE)2((3CHLOROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC27H22ClNO4Sc123227(31)2425(30)23(3426(24)29211271120(28)1621)15191061322(1419)3317188435918h31629H217H21H3b2315
MFCD03033717
STK093007
ZINC000013895108
ZINC13895108
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