Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-[3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK812272
SMILES COc1ccc(c(c1)C)c1nn(cc1/C=C(\c1nc2c([nH]1)cccc2)/C#N)c1ccccc1
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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 C27H21N5O MW 431.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O/c1-18-14-22(33-2)12-13-23(18)26-20(17-32(31-26)21-8-4-3-5-9-21)15-19(16-28)27-29-24-10-6-7-11-25(24)30-27/h3-15,17H,1-2H3,(H,29,30)/b19-15-InChIKey
XECFMCZNEUSWNT-CYVLTUHYSA-NSynonyms
957038-98-1(2Z)2(1Hbenzimidazol2yl)3(3(4methoxy2methylphenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(1Hbenzimidazol2yl)3(3(4methoxy2methylphenyl)1phenylpyrazol4yl)prop2enenitrile
957038981
CC1=C(C=CC(=C1)OC)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5
COc1ccc(c(c1)C)c1nn(cc1C=C(c1nc2c((nH)1)cccc2)C#N)c1ccccc1
InChI=1SC27H21N5Oc1181422(332)121323(18)2620(1732(3126)218435921)1519(1628)27292410671125(24)3027h31517H12H3(H2930)b1915
MFCD04445812
ZINC000009969578
ZINC09969578
ZINC9969578
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