Vitas-M small molecule compound
methyl (5E)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158448
SMILES COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(c(c2)OC)OC)/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 C21H19NO5S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO5S/c1-25-15-10-9-13(11-16(15)26-2)12-17-19(23)18(21(24)27-3)20(28-17)22-14-7-5-4-6-8-14/h4-12,22H,1-3H3/b17-12+InChIKey
JQFVGYZOHUSEOL-SFQUDFHCSA-NSynonyms
COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(c(c2)OC)OC)C1=O
COC1=C(C=C(C=C1)C=C2C(=O)C(=C(S2)NC3=CC=CC=C3)C(=O)OC)OC
InChI=1SC21H19NO5Sc1251510913(1116(15)262)121719(23)18(21(24)273)20(2817)22147546814h41222H13H3b1712+
METHYL(5E)2ANILINO5((34DIMETHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
METHYL(5E)5(34DIMETHOXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
MFCD08679411
ZINC000001152427
ZINC01152427
ZINC1152427
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