Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[1-(2-nitrobenzyl)-1H-pyrrol-2-yl]prop-2-enenitrile
Catalog ID
STK285286
SMILES N#C/C(=C\c1cccn1Cc1ccccc1[N+](=O)[O-])/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 C21H15N5O2 MW 369.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N5O2/c22-13-16(21-23-18-8-2-3-9-19(18)24-21)12-17-7-5-11-25(17)14-15-6-1-4-10-20(15)26(27)28/h1-12H,14H2,(H,23,24)/b16-12+InChIKey
DWMWUWHKBDVPKW-FOWTUZBSSA-NSynonyms
(2E)2(1HBENZIMIDAZOL2YL)3(1(2NITROBENZYL)1HPYRROL2YL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(1((2NITROPHENYL)METHYL)PYRROL2YL)PROP2ENENITRILE
C1=CC=C(C(=C1)CN2C=CC=C2C=C(C#N)C3=NC4=CC=CC=C4N3)(N+)(=O)(O)
InChI=1SC21H15N5O2c221316(212318823919(18)2421)1217751125(17)14156141020(15)26(27)28h112H14H2(H2324)b1612+
MFCD05993299
N#CC(=Cc1cccn1Cc1ccccc1(N+)(=O)(O))c1nc2c((nH)1)cccc2
ZINC000005042181
ZINC05042181
ZINC5042181
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