Vitas-M small molecule compound

(2E)-2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]-5-(prop-2-en-1-yl)phenyl}-N-(4-methoxybenzyl)prop-2-enamide

Catalog ID
STK185277
SMILES C=CCc1cc(/C=C(/C(=O)NCc2ccc(cc2)OC)\C#N)cc(c1OCc1ccc(cc1)[N+](=O)[O-])OCC

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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 C30H29N3O6 MW 527.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O6/c1-4-6-24-15-23(16-25(18-31)30(34)32-19-21-9-13-27(37-3)14-10-21)17-28(38-5-2)29(24)39-20-22-7-11-26(12-8-22)33(35)36/h4,7-17H,1,5-6,19-20H2,2-3H3,(H,32,34)/b25-16+
InChIKey
XOTWUOIXOZMBAG-PCLIKHOPSA-N
Synonyms

(2E)2CYANO3(3ETHOXY4((4NITROBENZYL)OXY)5(PROP2EN1YL)PHENYL)N(4METHOXYBENZYL)PROP2ENAMIDE
(E)2CYANO3(3ETHOXY4((4NITROPHENYL)METHOXY)5PROP2ENYLPHENYL)N((4METHOXYPHENYL)METHYL)PROP2ENAMIDE
C=CCc1cc(C=C(C(=O)NCc2ccc(cc2)OC)C#N)cc(c1OCc1ccc(cc1)(N+)(=O)(O))OCC
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)(N+)(=O)(O))CC=C)C=C(C#N)C(=O)NCC3=CC=C(C=C3)OC
InChI=1SC30H29N3O6c146241523(1625(1831)30(34)32192191327(373)141021)1728(3852)29(24)39202271126(12822)33(35)36h4717H1561920H223H3(H3234)b2516+
MFCD03729647
ZINC000009259133
ZINC09259133
ZINC9259133

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Available files

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