Vitas-M small molecule compound

methyl 3-{[(2E)-3-(4-methylphenyl)prop-2-enoyl]amino}thiophene-2-carboxylate

Catalog ID
STK438434
SMILES COC(=O)c1sccc1NC(=O)/C=C/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 C16H15NO3S MW 301.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO3S/c1-11-3-5-12(6-4-11)7-8-14(18)17-13-9-10-21-15(13)16(19)20-2/h3-10H,1-2H3,(H,17,18)/b8-7+
InChIKey
LPLVABOOPVCPCX-BQYQJAHWSA-N
Synonyms

CC1=CC=C(C=C1)C=CC(=O)NC2=C(SC=C2)C(=O)OC
COC(=O)c1sccc1NC(=O)C=Cc1ccc(cc1)C
InChI=1SC16H15NO3Sc1113512(6411)7814(18)17139102115(13)16(19)202h310H12H3(H1718)b87+
methyl3(((2E)3(4methylphenyl)prop2enoyl)amino)thiophene2carboxylate
METHYL3(((E)3(4METHYLPHENYL)PROP2ENOYL)AMINO)THIOPHENE2CARBOXYLATE
METHYL3((2E)3(4METHYLPHENYL)PROP2ENOYLAMINO)THIOPHENE2CARBOXYLATE
MFCD03379109
ZINC000000375277
ZINC00375277
ZINC375277

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Available files

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