Vitas-M small molecule compound
ethyl (5Z)-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-5-{[5-(phenylsulfanyl)furan-2-yl]methylidene}-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL378705
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(o2)Sc2ccccc2)/C1=O)NC(=O)c1ccc(cc1)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 C26H21NO5S2 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NO5S2/c1-3-31-26(30)22-23(28)20(34-25(22)27-24(29)17-11-9-16(2)10-12-17)15-18-13-14-21(32-18)33-19-7-5-4-6-8-19/h4-15H,3H2,1-2H3,(H,27,29)/b20-15-InChIKey
VYXFSORANRCUQH-HKWRFOASSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC=C(O2)SC3=CC=CC=C3)C1=O)NC(=O)C4=CC=C(C=C4)C
CCOC(=O)C1=C(SC(=Cc2ccc(o2)Sc2ccccc2)C1=O)NC(=O)c1ccc(cc1)C
ethyl(5Z)2(((4methylphenyl)carbonyl)amino)4oxo5((5(phenylsulfanyl)furan2yl)methylidene)45dihydrothiophene3carboxylate
ETHYL(5Z)2((4METHYLBENZOYL)AMINO)4OXO5((5PHENYLSULFANYLFURAN2YL)METHYLIDENE)THIOPHENE3CARBOXYLATE
InChI=1SC26H21NO5S2c133126(30)2223(28)20(3425(22)2724(29)1711916(2)101217)1518131421(3218)33197546819h415H3H212H3(H2729)b2015
MFCD03269559
ZINC000008395878
ZINC08395878
ZINC8395878
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