Vitas-M small molecule compound
(2Z)-3-[4-(benzyloxy)-3-nitrophenyl]-2-(5-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STL381475
SMILES N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])OCc1ccccc1)/c1nc2c([nH]1)ccc(c2)OC
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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 C24H18N4O4 MW 426.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N4O4/c1-31-19-8-9-20-21(13-19)27-24(26-20)18(14-25)11-17-7-10-23(22(12-17)28(29)30)32-15-16-5-3-2-4-6-16/h2-13H,15H2,1H3,(H,26,27)/b18-11-InChIKey
WNWBLYSTUCVFCK-WQRHYEAKSA-NSynonyms
(2Z)3(4(benzyloxy)3nitrophenyl)2(5methoxy1Hbenzimidazol2yl)prop2enenitrile
(Z)2(6methoxy1Hbenzimidazol2yl)3(3nitro4phenylmethoxyphenyl)prop2enenitrile
COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)(N+)(=O)(O))C#N
InChI=1SC24H18N4O4c13119892021(1319)2724(2620)18(1425)111771023(22(1217)28(29)30)3215165324616h213H15H21H3(H2627)b1811
MFCD07433531
N#CC(=Cc1ccc(c(c1)(N+)(=O)(O))OCc1ccccc1)c1nc2c((nH)1)ccc(c2)OC
ZINC000044400081
ZINC44400081
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