Vitas-M small molecule compound
(2Z)-2-(5-methoxy-1H-benzimidazol-2-yl)-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]prop-2-enenitrile
Catalog ID
STK201571
SMILES N#C/C(=C/c1cccn1c1cccc(c1)[N+](=O)[O-])/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 C21H15N5O3 MW 385.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N5O3/c1-29-18-7-8-19-20(12-18)24-21(23-19)14(13-22)10-15-6-3-9-25(15)16-4-2-5-17(11-16)26(27)28/h2-12H,1H3,(H,23,24)/b14-10-InChIKey
MOKKYMNKJPAAJG-UVTDQMKNSA-NSynonyms
(2Z)2(5METHOXY1HBENZIMIDAZOL2YL)3(1(3NITROPHENYL)1HPYRROL2YL)PROP2ENENITRILE
(Z)2(6METHOXY1HBENZIMIDAZOL2YL)3(1(3NITROPHENYL)PYRROL2YL)PROP2ENENITRILE
COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=CN3C4=CC(=CC=C4)(N+)(=O)(O))C#N
InChI=1SC21H15N5O3c12918781920(1218)2421(2319)14(1322)101563925(15)1642517(1116)26(27)28h212H1H3(H2324)b1410
MFCD06005754
N#CC(=Cc1cccn1c1cccc(c1)(N+)(=O)(O))c1nc2c((nH)1)ccc(c2)OC
ZINC000004739827
ZINC04739827
ZINC4739827
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