Vitas-M small molecule compound

ethyl 5-(N,N-dimethyl-beta-alanyl)-4-phenyl-2-[(phenylcarbonyl)amino]thiophene-3-carboxylate

Catalog ID
STK280210
SMILES CCOC(=O)c1c(NC(=O)c2ccccc2)sc(c1c1ccccc1)C(=O)CCN(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 C25H26N2O4S MW 450.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O4S/c1-4-31-25(30)21-20(17-11-7-5-8-12-17)22(19(28)15-16-27(2)3)32-24(21)26-23(29)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3,(H,26,29)
InChIKey
QQVMIGFRYFWUOC-UHFFFAOYSA-N
Synonyms
356586-98-6
356586986
CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C(=O)CCN(C)C)NC(=O)C3=CC=CC=C3
ethyl2benzamido5(3(dimethylamino)propanoyl)4phenylthiophene3carboxylate
ethyl5(NNdimethylbetaalanyl)4phenyl2((phenylcarbonyl)amino)thiophene3carboxylate
InChI=1SC25H26N2O4Sc143125(30)2120(17117581217)22(19(28)151627(2)3)3224(21)2623(29)181396101418h514H41516H213H3(H2629)
MFCD01806827
ZINC000009943279
ZINC9943279

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Available files

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