Vitas-M small molecule compound

methyl 4-cyano-5-{[(4-methoxyphenyl)carbonyl]amino}-3-methylthiophene-2-carboxylate

Catalog ID
STK141873
SMILES COc1ccc(cc1)C(=O)Nc1sc(c(c1C#N)C)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 C16H14N2O4S MW 330.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O4S/c1-9-12(8-17)15(23-13(9)16(20)22-3)18-14(19)10-4-6-11(21-2)7-5-10/h4-7H,1-3H3,(H,18,19)
InChIKey
MBQQAULMDIMLJK-UHFFFAOYSA-N
Synonyms
339361-52-3
339361523
CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)OC)C(=O)OC
InChI=1SC16H14N2O4Sc1912(817)15(2313(9)16(20)223)1814(19)104611(212)7510h47H13H3(H1819)
METHYL4CYANO5(((4METHOXYPHENYL)CARBONYL)AMINO)3METHYLTHIOPHENE2CARBOXYLATE
METHYL4CYANO5((4METHOXYBENZENE)AMIDO)3METHYLTHIOPHENE2CARBOXYLATE
METHYL4CYANO5((4METHOXYBENZOYL)AMINO)3METHYLTHIOPHENE2CARBOXYLATE
METHYL4CYANO5(4METHOXYBENZAMIDO)3METHYLTHIOPHENE2CARBOXYLATE
MFCD01350946
ZINC000000483517
ZINC00483517
ZINC483517

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Available files

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