Vitas-M small molecule compound
ethyl (5Z)-2-[(3-chlorophenyl)amino]-5-(2,4-dichlorobenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158482
SMILES CCOC(=O)C1=C(Nc2cccc(c2)Cl)S/C(=C\c2ccc(cc2Cl)Cl)/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 C20H14Cl3NO3S MW 454.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Cl3NO3S/c1-2-27-20(26)17-18(25)16(8-11-6-7-13(22)10-15(11)23)28-19(17)24-14-5-3-4-12(21)9-14/h3-10,24H,2H2,1H3/b16-8-InChIKey
XYQROGOQMSYTOH-PXNMLYILSA-NSynonyms
CCOC(=O)C1=C(Nc2cccc(c2)Cl)SC(=Cc2ccc(cc2Cl)Cl)C1=O
CCOC(=O)C1=C(SC(=CC2=C(C=C(C=C2)Cl)Cl)C1=O)NC3=CC(=CC=C3)Cl
ETHYL(5Z)2((3CHLOROPHENYL)AMINO)5(24DICHLOROBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(3CHLOROANILINO)5((24DICHLOROPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC20H14Cl3NO3Sc122720(26)1718(25)16(8116713(22)1015(11)23)2819(17)241453412(21)914h31024H2H21H3b168
MFCD02221309
ZINC000006489656
ZINC06489656
ZINC6489656
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