Vitas-M small molecule compound
methyl (5E)-5-(3-hydroxy-4-methoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158472
SMILES COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(c(c2)O)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 C20H17NO5S MW 383.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO5S/c1-25-15-9-8-12(10-14(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
DQCQALLKQNITRO-LFIBNONCSA-NSynonyms
COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(c(c2)O)OC)C1=O
COC1=C(C=C(C=C1)C=C2C(=O)C(=C(S2)NC3=CC=CC=C3)C(=O)OC)O
InChI=1SC20H17NO5Sc125159812(1014(15)22)111618(23)17(20(24)262)19(2716)21136435713h3112122H12H3b1611+
METHYL(5E)2ANILINO5((3HYDROXY4METHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
METHYL(5E)5(3HYDROXY4METHOXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
MFCD08679724
ZINC000002813043
ZINC02813043
ZINC2813043
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