Vitas-M small molecule compound

ethyl (5Z)-2-[(4-ethoxyphenyl)amino]-4-oxo-5-{[5-(phenylsulfanyl)furan-2-yl]methylidene}-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STL374827
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OCC)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 C26H23NO5S2 MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23NO5S2/c1-3-30-18-12-10-17(11-13-18)27-25-23(26(29)31-4-2)24(28)21(34-25)16-19-14-15-22(32-19)33-20-8-6-5-7-9-20/h5-16,27H,3-4H2,1-2H3/b21-16-
InChIKey
YEKRHTVRVGKHBO-PGMHBOJBSA-N
Synonyms

CCOC(=O)C1=C(Nc2ccc(cc2)OCC)SC(=Cc2ccc(o2)Sc2ccccc2)C1=O
CCOC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=CC=C(O3)SC4=CC=CC=C4)S2)C(=O)OCC
ethyl(5Z)2((4ethoxyphenyl)amino)4oxo5((5(phenylsulfanyl)furan2yl)methylidene)45dihydrothiophene3carboxylate
ETHYL(5Z)2(4ETHOXYANILINO)4OXO5((5PHENYLSULFANYLFURAN2YL)METHYLIDENE)THIOPHENE3CARBOXYLATE
ETHYL2(4ETHOXYANILINO)4OXO5((5(PHENYLSULFANYL)2FURYL)METHYLENE)45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC26H23NO5S2c133018121017(111318)272523(26(29)3142)24(28)21(3425)1619141522(3219)33208657920h51627H34H212H3b2116
MFCD02637576
ZINC000002972465
ZINC02972465
ZINC2972465

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Available files

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