Vitas-M small molecule compound
(2E)-3-[2,4-di(morpholin-4-yl)-5-nitrophenyl]-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK755770
SMILES N#C/C(=C\c1cc([N+](=O)[O-])c(cc1N1CCOCC1)N1CCOCC1)/c1nc2c([nH]1)ccc(c2)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 C25H26N6O4 MW 474.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N6O4/c1-17-2-3-20-21(12-17)28-25(27-20)19(16-26)13-18-14-24(31(32)33)23(30-6-10-35-11-7-30)15-22(18)29-4-8-34-9-5-29/h2-3,12-15H,4-11H2,1H3,(H,27,28)/b19-13+InChIKey
VIPZYSUMBGNFAU-CPNJWEJPSA-NSynonyms
(2E)3(24di(morpholin4yl)5nitrophenyl)2(5methyl1Hbenzimidazol2yl)prop2enenitrile
(E)3(24DIMORPHOLIN4YL5NITROPHENYL)2(6METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3N4CCOCC4)N5CCOCC5)(N+)(=O)(O))C#N
InChI=1SC25H26N6O4c117232021(1217)2825(2720)19(1626)13181424(31(32)33)23(306103511730)1522(18)2948349529h231215H411H21H3(H2728)b1913+
MFCD01113626
N#CC(=Cc1cc((N+)(=O)(O))c(cc1N1CCOCC1)N1CCOCC1)c1nc2c((nH)1)ccc(c2)C
ZINC000013563275
ZINC13563275
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