Vitas-M small molecule compound

methyl 2-[(chloroacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

Catalog ID
STK445038
SMILES ClCC(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)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 C12H15ClN2O4S MW 318.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15ClN2O4S/c1-6-8(12(18)19-4)10(14-7(16)5-13)20-9(6)11(17)15(2)3/h5H2,1-4H3,(H,14,16)
InChIKey
CPKOAESCGWDPGF-UHFFFAOYSA-N
Synonyms
546064-43-1
546064431
CC1=C(SC(=C1C(=O)OC)NC(=O)CCl)C(=O)N(C)C
InChI=1SC12H15ClN2O4Sc168(12(18)194)10(147(16)513)209(6)11(17)15(2)3h5H214H3(H1416)
METHYL2((2CHLOROACETYL)AMINO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2((CHLOROACETYL)AMINO)5((DIMETHYLAMINO)CARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
methyl2((chloroacetyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(2CHLOROACETAMIDO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5(NNDIMETHYLCARBAMOYL)2(2CHLOROACETYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03392194
ZINC000002513506
ZINC02513506
ZINC2513506

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Available files

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