Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]prop-2-enenitrile
Catalog ID
STK287680
SMILES N#C/C(=C/c1cccn1c1cccc(c1)[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 C20H13N5O2 MW 355.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N5O2/c21-13-14(20-22-18-8-1-2-9-19(18)23-20)11-15-7-4-10-24(15)16-5-3-6-17(12-16)25(26)27/h1-12H,(H,22,23)/b14-11-InChIKey
BEUXEBNKTIFTJR-KAMYIIQDSA-NSynonyms
(2Z)2(1Hbenzimidazol2yl)3(1(3nitrophenyl)1Hpyrrol2yl)prop2enenitrile
(Z)2(1HBENZIMIDAZOL2YL)3(1(3NITROPHENYL)PYRROL2YL)PROP2ENENITRILE
C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=CN3C4=CC(=CC=C4)(N+)(=O)(O))C#N
InChI=1SC20H13N5O2c211314(202218812919(18)2320)1115741024(15)1653617(1216)25(26)27h112H(H2223)b1411
MFCD04213461
N#CC(=Cc1cccn1c1cccc(c1)(N+)(=O)(O))c1nc2c((nH)1)cccc2
ZINC000004978943
ZINC04978943
ZINC4978943
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