Vitas-M small molecule compound
ethyl (5Z)-5-[3-chloro-4-(2-ethoxy-2-oxoethoxy)benzylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL371525
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(c(c2)Cl)OCC(=O)OCC)/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 C24H22ClNO6S MW 487.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClNO6S/c1-3-30-20(27)14-32-18-11-10-15(12-17(18)25)13-19-22(28)21(24(29)31-4-2)23(33-19)26-16-8-6-5-7-9-16/h5-13,26H,3-4,14H2,1-2H3/b19-13-InChIKey
ZKOWWPOGVSPBTO-UYRXBGFRSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(c(c2)Cl)OCC(=O)OCC)C1=O
CCOC(=O)COC1=C(C=C(C=C1)C=C2C(=O)C(=C(S2)NC3=CC=CC=C3)C(=O)OCC)Cl
ETHYL(5Z)2ANILINO5((3CHLORO4(2ETHOXY2OXOETHOXY)PHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(3chloro4(2ethoxy2oxoethoxy)benzylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
InChI=1SC24H22ClNO6Sc133020(27)143218111015(1217(18)25)131922(28)21(24(29)3142)23(3319)26168657916h51326H3414H212H3b1913
MFCD03710908
ZINC000003463063
ZINC03463063
ZINC3463063
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