Vitas-M small molecule compound
methyl (5Z)-2-[(3,4-dichlorophenyl)amino]-5-(4-fluorobenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158502
SMILES COC(=O)C1=C(Nc2ccc(c(c2)Cl)Cl)S/C(=C\c2ccc(cc2)F)/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 C19H12Cl2FNO3S MW 424.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12Cl2FNO3S/c1-26-19(25)16-17(24)15(8-10-2-4-11(22)5-3-10)27-18(16)23-12-6-7-13(20)14(21)9-12/h2-9,23H,1H3/b15-8-InChIKey
HYTHLYAUYFWEFQ-NVNXTCNLSA-NSynonyms
COC(=O)C1=C(Nc2ccc(c(c2)Cl)Cl)SC(=Cc2ccc(cc2)F)C1=O
COC(=O)C1=C(SC(=CC2=CC=C(C=C2)F)C1=O)NC3=CC(=C(C=C3)Cl)Cl
InChI=1SC19H12Cl2FNO3Sc12619(25)1617(24)15(8102411(22)5310)2718(16)23126713(20)14(21)912h2923H1H3b158
METHYL(5Z)2((34DICHLOROPHENYL)AMINO)5(4FLUOROBENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
METHYL(5Z)2(34DICHLOROANILINO)5((4FLUOROPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
MFCD06239693
ZINC000008750233
ZINC08750233
ZINC8750233
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