Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]prop-2-enenitrile
Catalog ID
STK197006
SMILES N#C/C(=C\c1cc(n(c1C)c1cccc(c1)[N+](=O)[O-])C)/c1nc2c([nH]1)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 C22H17N5O2 MW 383.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O2/c1-14-10-16(15(2)26(14)18-6-5-7-19(12-18)27(28)29)11-17(13-23)22-24-20-8-3-4-9-21(20)25-22/h3-12H,1-2H3,(H,24,25)/b17-11+InChIKey
OGQPEKXFCJXOQE-GZTJUZNOSA-NSynonyms
(2E)2(1HBENZIMIDAZOL2YL)3(25DIMETHYL1(3NITROPHENYL)1HPYRROL3YL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(25DIMETHYL1(3NITROPHENYL)PYRROL3YL)PROP2ENENITRILE
CC1=CC(=C(N1C2=CC(=CC=C2)(N+)(=O)(O))C)C=C(C#N)C3=NC4=CC=CC=C4N3
InChI=1SC22H17N5O2c1141016(15(2)26(14)1865719(1218)27(28)29)1117(1323)222420834921(20)2522h312H12H3(H2425)b1711+
MFCD03729595
N#CC(=Cc1cc(n(c1C)c1cccc(c1)(N+)(=O)(O))C)c1nc2c((nH)1)cccc2
ZINC000004738872
ZINC04738872
ZINC4738872
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