Vitas-M small molecule compound
ethyl (5Z)-2-[(4-methoxyphenyl)amino]-4-oxo-5-{[5-(phenylsulfanyl)furan-2-yl]methylidene}-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374747
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C\c2ccc(o2)Sc2ccccc2)/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 C25H21NO5S2 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO5S2/c1-3-30-25(28)22-23(27)20(33-24(22)26-16-9-11-17(29-2)12-10-16)15-18-13-14-21(31-18)32-19-7-5-4-6-8-19/h4-15,26H,3H2,1-2H3/b20-15-InChIKey
XCLLUAMKYOCRBW-HKWRFOASSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2ccc(o2)Sc2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(O2)SC3=CC=CC=C3)C1=O)NC4=CC=C(C=C4)OC
ethyl(5Z)2((4methoxyphenyl)amino)4oxo5((5(phenylsulfanyl)furan2yl)methylidene)45dihydrothiophene3carboxylate
ETHYL(5Z)2(4METHOXYANILINO)4OXO5((5PHENYLSULFANYLFURAN2YL)METHYLIDENE)THIOPHENE3CARBOXYLATE
ETHYL2(4METHOXYANILINO)4OXO5((5(PHENYLSULFANYL)2FURYL)METHYLENE)45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC25H21NO5S2c133025(28)2223(27)20(3324(22)261691117(292)121016)1518131421(3118)32197546819h41526H3H212H3b2015
MFCD02788103
ZINC000008438409
ZINC08438409
ZINC8438409
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