Vitas-M small molecule compound

(2E)-3-(4-butoxyphenyl)-2-cyano-N-(2-methoxy-5-nitrophenyl)prop-2-enamide

Catalog ID
STK042382
SMILES CCCCOc1ccc(cc1)/C=C(/C(=O)Nc1cc(ccc1OC)[N+](=O)[O-])\C#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 C21H21N3O5 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5/c1-3-4-11-29-18-8-5-15(6-9-18)12-16(14-22)21(25)23-19-13-17(24(26)27)7-10-20(19)28-2/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)/b16-12+
InChIKey
SPQLPGFIGNJVKP-FOWTUZBSSA-N
Synonyms

(2E)3(4BUTOXYPHENYL)2CYANON(2METHOXY5NITROPHENYL)PROP2ENAMIDE
(E)3(4BUTOXYPHENYL)2CYANON(2METHOXY5NITROPHENYL)PROP2ENAMIDE
CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)(N+)(=O)(O))OC
CCCCOc1ccc(cc1)C=C(C(=O)Nc1cc(ccc1OC)(N+)(=O)(O))C#N
InChI=1SC21H21N3O5c1341129188515(6918)1216(1422)21(25)23191317(24(26)27)71020(19)282h5101213H3411H212H3(H2325)b1612+
MFCD03537197
STK042382
ZINC000004616844
ZINC04616844
ZINC4616844

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Available files

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