Vitas-M small molecule compound

dimethyl 5-{[(4-chlorophenyl)acetyl]amino}-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK418095
SMILES COC(=O)c1c(NC(=O)Cc2ccc(cc2)Cl)sc(c1C)C(=O)OC

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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 C17H16ClNO5S MW 381.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClNO5S/c1-9-13(16(21)23-2)15(25-14(9)17(22)24-3)19-12(20)8-10-4-6-11(18)7-5-10/h4-7H,8H2,1-3H3,(H,19,20)
InChIKey
MNXBNLYKEXTNKW-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=C(C=C2)Cl)C(=O)OC
DIMETHYL5(((4CHLOROPHENYL)ACETYL)AMINO)3METHYL24THIOPHENEDICARBOXYLATE
dimethyl5(((4chlorophenyl)acetyl)amino)3methylthiophene24dicarboxylate
DIMETHYL5((2(4CHLOROPHENYL)ACETYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC17H16ClNO5Sc1913(16(21)232)15(2514(9)17(22)243)1912(20)8104611(18)7510h47H8H213H3(H1920)
MFCD01920150
ZINC000000668461
ZINC00668461
ZINC668461

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Available files

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