Vitas-M small molecule compound

ethyl (2Z)-3-amino-3-(butylamino)-2-(phenylcarbonyl)prop-2-enoate

Catalog ID
STK151469
SMILES CCCCN/C(=C(/C(=O)c1ccccc1)\C(=O)OCC)/N

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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 C16H22N2O3 MW 290.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2O3/c1-3-5-11-18-15(17)13(16(20)21-4-2)14(19)12-9-7-6-8-10-12/h6-10,18H,3-5,11,17H2,1-2H3/b15-13-
InChIKey
PKNFEYOJGFSPSF-SQFISAMPSA-N
Synonyms

CCCCNC(=C(C(=O)C1=CC=CC=C1)C(=O)OCC)N
CCCCNC(=C(C(=O)c1ccccc1)C(=O)OCC)N
ETHYL(2Z)3AMINO3(BUTYLAMINO)2(PHENYLCARBONYL)PROP2ENOATE
ETHYL(Z)3AMINO2BENZOYL3(BUTYLAMINO)PROP2ENOATE
InChI=1SC16H22N2O3c135111815(17)13(16(20)2142)14(19)1297681012h61018H351117H212H3b1513
MFCD03586108
ZINC000101628237
ZINC04694510
ZINC101628237

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Available files

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