Vitas-M small molecule compound
(2E)-2-cyano-N-(3,4-dimethylphenyl)-3-[2-(morpholin-4-yl)-5-nitrophenyl]prop-2-enamide
Catalog ID
STK288030
SMILES N#C/C(=C\c1cc(ccc1N1CCOCC1)[N+](=O)[O-])/C(=O)Nc1ccc(c(c1)C)C
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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 C22H22N4O4 MW 406.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4/c1-15-3-4-19(11-16(15)2)24-22(27)18(14-23)12-17-13-20(26(28)29)5-6-21(17)25-7-9-30-10-8-25/h3-6,11-13H,7-10H2,1-2H3,(H,24,27)/b18-12+InChIKey
QXROBAZOZIBJCN-LDADJPATSA-NSynonyms
(2E)2CYANON(34DIMETHYLPHENYL)3(2(MORPHOLIN4YL)5NITROPHENYL)PROP2ENAMIDE
(E)2CYANON(34DIMETHYLPHENYL)3(2MORPHOLIN4YL5NITROPHENYL)PROP2ENAMIDE
CC1=C(C=C(C=C1)NC(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))N3CCOCC3)C#N)C
InChI=1SC22H22N4O4c1153419(1116(15)2)2422(27)18(1423)12171320(26(28)29)5621(17)25793010825h361113H710H212H3(H2427)b1812+
MFCD06778524
N#CC(=Cc1cc(ccc1N1CCOCC1)(N+)(=O)(O))C(=O)Nc1ccc(c(c1)C)C
ZINC000009235062
ZINC09235062
ZINC9235062
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