Vitas-M small molecule compound

ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-2-{[(4-chlorophenyl)acetyl]amino}-4-methylthiophene-3-carboxylate

Catalog ID
STK031783
SMILES CCOC(=O)c1c(NC(=O)Cc2ccc(cc2)Cl)sc(c1C)C(=O)Nc1cccc(c1C)Cl

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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 C24H22Cl2N2O4S MW 505.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22Cl2N2O4S/c1-4-32-24(31)20-14(3)21(22(30)27-18-7-5-6-17(26)13(18)2)33-23(20)28-19(29)12-15-8-10-16(25)11-9-15/h5-11H,4,12H2,1-3H3,(H,27,30)(H,28,29)
InChIKey
LPVKOIDOZCNYBR-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C(=CC=C2)Cl)C)NC(=O)CC3=CC=C(C=C3)Cl
CCOC(=O)c1c(NC(=O)Cc2ccc(cc2)Cl)sc(c1C)C(=O)Nc1cccc(c1C)Cl
ETHYL5((3CHLORO2METHYLPHENYL)CARBAMOYL)2(((4CHLOROPHENYL)ACETYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5((3CHLORO2METHYLPHENYL)CARBAMOYL)2((2(4CHLOROPHENYL)ACETYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5(N(3CHLORO2METHYLPHENYL)CARBAMOYL)2(2(4CHLOROPHENYL)ACETYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC24H22Cl2N2O4Sc143224(31)2014(3)21(22(30)271875617(26)13(18)2)3323(20)2819(29)121581016(25)11915h511H412H213H3(H2730)(H2829)
MFCD02627442
STK031783
ZINC000002771970
ZINC02771970
ZINC2771970

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Available files

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