Vitas-M small molecule compound
(2E)-3-[4-(benzyloxy)-5-methoxy-2-nitrophenyl]-2-cyano-N-(naphthalen-2-yl)prop-2-enamide
Catalog ID
STK181021
SMILES N#C/C(=C\c1cc(OC)c(cc1[N+](=O)[O-])OCc1ccccc1)/C(=O)Nc1ccc2c(c1)cccc2
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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 C28H21N3O5 MW 479.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O5/c1-35-26-15-22(25(31(33)34)16-27(26)36-18-19-7-3-2-4-8-19)13-23(17-29)28(32)30-24-12-11-20-9-5-6-10-21(20)14-24/h2-16H,18H2,1H3,(H,30,32)/b23-13+InChIKey
JRXALKRYKVEEKI-YDZHTSKRSA-NSynonyms
(2E)3(4(BENZYLOXY)5METHOXY2NITROPHENYL)2CYANON(NAPHTHALEN2YL)PROP2ENAMIDE
(E)2CYANO3(5METHOXY2NITRO4PHENYLMETHOXYPHENYL)NNAPHTHALEN2YLPROP2ENAMIDE
COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC3=CC=CC=C3C=C2)(N+)(=O)(O))OCC4=CC=CC=C4
InChI=1SC28H21N3O5c135261522(25(31(33)34)1627(26)3618197324819)1323(1729)28(32)30241211209561021(20)1424h216H18H21H3(H3032)b2313+
MFCD04550345
N#CC(=Cc1cc(OC)c(cc1(N+)(=O)(O))OCc1ccccc1)C(=O)Nc1ccc2c(c1)cccc2
ZINC000009259727
ZINC09259727
ZINC9259727
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