Vitas-M small molecule compound

benzyl N-{(2E)-3-(3-nitrophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}glycinate

Catalog ID
STK832603
SMILES O=C(CNC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1)OCc1ccccc1

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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 C25H21N3O6 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6/c29-23(34-17-18-8-3-1-4-9-18)16-26-25(31)22(27-24(30)20-11-5-2-6-12-20)15-19-10-7-13-21(14-19)28(32)33/h1-15H,16-17H2,(H,26,31)(H,27,30)/b22-15+
InChIKey
DIZIAKIAFLKRJQ-PXLXIMEGSA-N
Synonyms
300837-70-1
(E)benzyl2(2benzamido3(3nitrophenyl)acrylamido)acetate
300837701
BENZYL2(((E)2BENZAMIDO3(3NITROPHENYL)PROP2ENOYL)AMINO)ACETATE
benzylN((2E)3(3nitrophenyl)2((phenylcarbonyl)amino)prop2enoyl)glycinate
C1=CC=C(C=C1)COC(=O)CNC(=O)C(=CC2=CC(=CC=C2)(N+)(=O)(O))NC(=O)C3=CC=CC=C3
InChI=1SC25H21N3O6c2923(3417188314918)162625(31)22(2724(30)20115261220)15191071321(1419)28(32)33h115H1617H2(H2631)(H2730)b2215+
MFCD01551722
O=C(CNC(=O)C(=Cc1cccc(c1)(N+)(=O)(O))NC(=O)c1ccccc1)OCc1ccccc1
ZINC000008738002
ZINC08738002
ZINC8738002

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Available files

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