Vitas-M small molecule compound

methyl 5-methyl-4-(4-methylphenyl)-2-[(phenoxyacetyl)amino]thiophene-3-carboxylate

Catalog ID
STK453666
SMILES COC(=O)c1c(NC(=O)COc2ccccc2)sc(c1c1ccc(cc1)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 C22H21NO4S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4S/c1-14-9-11-16(12-10-14)19-15(2)28-21(20(19)22(25)26-3)23-18(24)13-27-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,23,24)
InChIKey
SPQCPKWDMNYBTA-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)COC3=CC=CC=C3)C
InChI=1SC22H21NO4Sc11491116(121014)1915(2)2821(20(19)22(25)263)2318(24)1327177546817h412H13H213H3(H2324)
METHYL5METHYL4(4METHYLPHENYL)2((2PHENOXYACETYL)AMINO)THIOPHENE3CARBOXYLATE
methyl5methyl4(4methylphenyl)2((phenoxyacetyl)amino)thiophene3carboxylate
METHYL5METHYL4(4METHYLPHENYL)2(2PHENOXYACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD02607068
ZINC000000685927
ZINC00685927
ZINC685927

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Available files

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