Vitas-M small molecule compound
ethyl (5E)-5-(2-chlorobenzylidene)-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK092292
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C/c2ccccc2Cl)/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 C21H18ClNO4S MW 415.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO4S/c1-3-27-21(25)18-19(24)17(12-13-6-4-5-7-16(13)22)28-20(18)23-14-8-10-15(26-2)11-9-14/h4-12,23H,3H2,1-2H3/b17-12+InChIKey
KDYMPTICDCFPEI-SFQUDFHCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2ccccc2Cl)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=CC=C2Cl)C1=O)NC3=CC=C(C=C3)OC
ETHYL(5E)5((2CHLOROPHENYL)METHYLIDENE)2(4METHOXYANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5E)5(2CHLOROBENZYLIDENE)2((4METHOXYPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC21H18ClNO4Sc132721(25)1819(24)17(1213645716(13)22)2820(18)231481015(262)11914h41223H3H212H3b1712+
MFCD08679373
STK092292
ZINC000004663520
ZINC04663520
ZINC4663520
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