Vitas-M small molecule compound
methyl (5E)-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158443
SMILES COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(c(c2)OC)O)/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 C20H17NO5S MW 383.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO5S/c1-25-15-10-12(8-9-14(15)22)11-16-18(23)17(20(24)26-2)19(27-16)21-13-6-4-3-5-7-13/h3-11,21-22H,1-2H3/b16-11+InChIKey
VTSHGLXZTNLIFS-LFIBNONCSA-NSynonyms
COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(c(c2)OC)O)C1=O
COC1=C(C=CC(=C1)C=C2C(=O)C(=C(S2)NC3=CC=CC=C3)C(=O)OC)O
InChI=1SC20H17NO5Sc125151012(8914(15)22)111618(23)17(20(24)262)19(2716)21136435713h3112122H12H3b1611+
METHYL(5E)2ANILINO5((4HYDROXY3METHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
METHYL(5E)5(4HYDROXY3METHOXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
MFCD08679407
ZINC000004688351
ZINC04688351
ZINC4688351
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