Vitas-M small molecule compound

(2E)-2-cyano-N-(2-methyl-5-nitrophenyl)-3-(3-phenoxyphenyl)prop-2-enamide

Catalog ID
STK029135
SMILES N#C/C(=C\c1cccc(c1)Oc1ccccc1)/C(=O)Nc1cc(ccc1C)[N+](=O)[O-]

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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 C23H17N3O4 MW 399.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O4/c1-16-10-11-19(26(28)29)14-22(16)25-23(27)18(15-24)12-17-6-5-9-21(13-17)30-20-7-3-2-4-8-20/h2-14H,1H3,(H,25,27)/b18-12+
InChIKey
TUFGJGKSXFFTTE-LDADJPATSA-N
Synonyms
345240-80-4
(2E)2CYANON(2METHYL5NITROPHENYL)3(3PHENOXYPHENYL)PROP2ENAMIDE
(E)2CYANON(2METHYL5NITROPHENYL)3(3PHENOXYPHENYL)PROP2ENAMIDE
345240804
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)C(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C#N
InChI=1SC23H17N3O4c116101119(26(28)29)1422(16)2523(27)18(1524)121765921(1317)30207324820h214H1H3(H2527)b1812+
MFCD02608494
N#CC(=Cc1cccc(c1)Oc1ccccc1)C(=O)Nc1cc(ccc1C)(N+)(=O)(O)
STK029135
ZINC000002774394
ZINC02774394
ZINC2774394

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Available files

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