Vitas-M small molecule compound
(2Z)-2-(5-methoxy-1H-benzimidazol-2-yl)-3-[4-(morpholin-4-yl)-3-nitrophenyl]prop-2-enenitrile
Catalog ID
STK201871
SMILES N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)/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 C21H19N5O4 MW 405.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O4/c1-29-16-3-4-17-18(12-16)24-21(23-17)15(13-22)10-14-2-5-19(20(11-14)26(27)28)25-6-8-30-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,23,24)/b15-10-InChIKey
QNWBOFDJZLVQCL-GDNBJRDFSA-NSynonyms
(2Z)2(5METHOXY1HBENZIMIDAZOL2YL)3(4(MORPHOLIN4YL)3NITROPHENYL)PROP2ENENITRILE
(Z)2(6METHOXY1HBENZIMIDAZOL2YL)3(4MORPHOLIN4YL3NITROPHENYL)PROP2ENENITRILE
COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)N4CCOCC4)(N+)(=O)(O))C#N
InChI=1SC21H19N5O4c12916341718(1216)2421(2317)15(1322)10142519(20(1114)26(27)28)2568309725h251012H69H21H3(H2324)b1510
MFCD06666678
N#CC(=Cc1ccc(c(c1)(N+)(=O)(O))N1CCOCC1)c1nc2c((nH)1)ccc(c2)OC
ZINC000004739919
ZINC19890538
ZINC4739919
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