Vitas-M small molecule compound

ethyl 5-acetyl-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate

Catalog ID
STK438087
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc(c(c2)Cl)Cl)sc(c1C)C(=O)C

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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 C19H17Cl2NO4S MW 426.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17Cl2NO4S/c1-4-26-19(25)16-10(2)17(11(3)23)27-18(16)22-15(24)8-6-12-5-7-13(20)14(21)9-12/h5-9H,4H2,1-3H3,(H,22,24)/b8-6+
InChIKey
LFFPTKCQXOLJIM-SOFGYWHQSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C=CC2=CC(=C(C=C2)Cl)Cl
CCOC(=O)c1c(NC(=O)C=Cc2ccc(c(c2)Cl)Cl)sc(c1C)C(=O)C
ETHYL2((2E)3(34DICHLOROPHENYL)PROP2ENOYLAMINO)5ACETYL4METHYLTHIOPHENE3CARBOXYLATE
ethyl5acetyl2(((2E)3(34dichlorophenyl)prop2enoyl)amino)4methylthiophene3carboxylate
ETHYL5ACETYL2(((E)3(34DICHLOROPHENYL)PROP2ENOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC19H17Cl2NO4Sc142619(25)1610(2)17(11(3)23)2718(16)2215(24)86125713(20)14(21)912h59H4H213H3(H2224)b86+
MFCD01350179
ZINC000001113880
ZINC01113880
ZINC1113880

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.