Vitas-M small molecule compound
ethyl (5E)-2-[(4-chlorophenyl)amino]-5-[4-(methylsulfanyl)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158428
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C/c2ccc(cc2)SC)/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 C21H18ClNO3S2 MW 431.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO3S2/c1-3-26-21(25)18-19(24)17(12-13-4-10-16(27-2)11-5-13)28-20(18)23-15-8-6-14(22)7-9-15/h4-12,23H,3H2,1-2H3/b17-12+InChIKey
RZTQDOUJVFDNMR-SFQUDFHCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2ccc(cc2)SC)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)SC)C1=O)NC3=CC=C(C=C3)Cl
ETHYL(5E)2((4CHLOROPHENYL)AMINO)5(4(METHYLSULFANYL)BENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5E)2(4CHLOROANILINO)5((4METHYLSULFANYLPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC21H18ClNO3S2c132621(25)1819(24)17(121341016(272)11513)2820(18)23158614(22)7915h41223H3H212H3b1712+
MFCD08679396
ZINC000002898876
ZINC02898876
ZINC2898876
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