Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-{3-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}prop-2-enenitrile
Catalog ID
STK297139
SMILES COc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])Br)/C=C(/c1nc2c([nH]1)cccc2)\C#N
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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 C24H17BrN4O4 MW 505.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17BrN4O4/c1-32-22-12-16(10-17(13-26)24-27-20-4-2-3-5-21(20)28-24)11-19(25)23(22)33-14-15-6-8-18(9-7-15)29(30)31/h2-12H,14H2,1H3,(H,27,28)/b17-10+InChIKey
XCIGCKRWMVLOQA-LICLKQGHSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(3bromo5methoxy4((4nitrobenzyl)oxy)phenyl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(3BROMO5METHOXY4((4NITROPHENYL)METHOXY)PHENYL)PROP2ENENITRILE
COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)OCC4=CC=C(C=C4)(N+)(=O)(O)
COc1cc(cc(c1OCc1ccc(cc1)(N+)(=O)(O))Br)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC24H17BrN4O4c132221216(1017(1326)242720423521(20)2824)1119(25)23(22)3314156818(9715)29(30)31h212H14H21H3(H2728)b1710+
MFCD07178614
ZINC000022829158
ZINC22829158
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