Vitas-M small molecule compound
ethyl (5Z)-5-(2-hydroxy-3-methoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK037531
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cccc(c2O)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/c1-3-27-21(25)17-19(24)16(12-13-8-7-11-15(26-2)18(13)23)28-20(17)22-14-9-5-4-6-10-14/h4-12,22-23H,3H2,1-2H3/b16-12-InChIKey
CWJWOFKYEBLZAO-VBKFSLOCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(c2O)OC)C1=O
CCOC(=O)C1=C(SC(=CC2=C(C(=CC=C2)OC)O)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((2HYDROXY3METHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(2HYDROXY3METHOXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC21H19NO5Sc132721(25)1719(24)16(1213871115(262)18(13)23)2820(17)221495461014h4122223H3H212H3b1612
MFCD08050528
STK037531
ZINC000004608173
ZINC04608173
ZINC4608173
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