Vitas-M small molecule compound
ethyl (5E)-2-[(4-chlorophenyl)amino]-5-(3-hydroxybenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158427
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C/c2cccc(c2)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 C20H16ClNO4S MW 401.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClNO4S/c1-2-26-20(25)17-18(24)16(11-12-4-3-5-15(23)10-12)27-19(17)22-14-8-6-13(21)7-9-14/h3-11,22-23H,2H2,1H3/b16-11+InChIKey
YXVHUHQXKFZUFQ-LFIBNONCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2cccc(c2)O)C1=O
CCOC(=O)C1=C(SC(=CC2=CC(=CC=C2)O)C1=O)NC3=CC=C(C=C3)Cl
ETHYL(5E)2((4CHLOROPHENYL)AMINO)5(3HYDROXYBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5E)2(4CHLOROANILINO)5((3HYDROXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC20H16ClNO4Sc122620(25)1718(24)16(111243515(23)1012)2719(17)22148613(21)7914h3112223H2H21H3b1611+
MFCD08679395
ZINC000001177365
ZINC01177365
ZINC1177365
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