Vitas-M small molecule compound
(2E)-3-[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK815587
SMILES N#C/C(=C\c1cn(nc1c1ccc(c(c1)[N+](=O)[O-])OC)c1ccccc1)/c1nc2c(n1C)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 C27H20N6O3 MW 476.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N6O3/c1-31-23-11-7-6-10-22(23)29-27(31)19(16-28)14-20-17-32(21-8-4-3-5-9-21)30-26(20)18-12-13-25(36-2)24(15-18)33(34)35/h3-15,17H,1-2H3/b19-14+InChIKey
JQQACOYTGOBOEI-XMHGGMMESA-NSynonyms
(2E)3(3(4methoxy3nitrophenyl)1phenyl1Hpyrazol4yl)2(1methyl1Hbenzimidazol2yl)prop2enenitrile
(E)3(3(4METHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)2(1METHYLBENZIMIDAZOL2YL)PROP2ENENITRILE
CN1C2=CC=CC=C2N=C1C(=CC3=CN(N=C3C4=CC(=C(C=C4)OC)(N+)(=O)(O))C5=CC=CC=C5)C#N
InChI=1SC27H20N6O3c1312311761022(23)2927(31)19(1628)14201732(218435921)3026(20)18121325(362)24(1518)33(34)35h31517H12H3b1914+
MFCD06642664
N#CC(=Cc1cn(nc1c1ccc(c(c1)(N+)(=O)(O))OC)c1ccccc1)c1nc2c(n1C)cccc2
ZINC000016732663
ZINC16732663
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