Vitas-M small molecule compound

methyl 2-[(cyanoacetyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate

Catalog ID
STK438777
SMILES N#CCC(=O)Nc1scc(c1C(=O)OC)c1ccc(cc1)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 C16H14N2O3S MW 314.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O3S/c1-10-3-5-11(6-4-10)12-9-22-15(14(12)16(20)21-2)18-13(19)7-8-17/h3-6,9H,7H2,1-2H3,(H,18,19)
InChIKey
ZEJNUFNLUMEPPM-UHFFFAOYSA-N
Synonyms
545437-55-6
545437556
CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC#N
InChI=1SC16H14N2O3Sc1103511(6410)1292215(14(12)16(20)212)1813(19)7817h369H7H212H3(H1819)
METHYL2((2CYANOACETYL)AMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
methyl2((cyanoacetyl)amino)4(4methylphenyl)thiophene3carboxylate
METHYL2(2CYANOACETAMIDO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
METHYL2(2CYANOACETYLAMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
MFCD03391426
ZINC000006277724
ZINC06277724
ZINC6277724

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Available files

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