Vitas-M small molecule compound
methyl (5E)-5-(2-methoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158447
SMILES COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccccc2OC)/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 C20H17NO4S MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO4S/c1-24-15-11-7-6-8-13(15)12-16-18(22)17(20(23)25-2)19(26-16)21-14-9-4-3-5-10-14/h3-12,21H,1-2H3/b16-12+InChIKey
OJDVGSKEWBTKAD-FOWTUZBSSA-NSynonyms
COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccccc2OC)C1=O
COC1=CC=CC=C1C=C2C(=O)C(=C(S2)NC3=CC=CC=C3)C(=O)OC
InChI=1SC20H17NO4Sc124151176813(15)121618(22)17(20(23)252)19(2616)211494351014h31221H12H3b1612+
METHYL(5E)2ANILINO5((2METHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
METHYL(5E)5(2METHOXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
MFCD08679410
ZINC000001165772
ZINC01165772
ZINC1165772
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