Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[(4-oxo-3,4-dihydroquinazolin-2-yl)methoxy]phenyl}prop-2-enenitrile
Catalog ID
STK287302
SMILES COc1cc(ccc1OCc1nc2ccccc2c(=O)[nH]1)/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 C26H19N5O3 MW 449.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N5O3/c1-33-23-13-16(12-17(14-27)25-29-20-8-4-5-9-21(20)30-25)10-11-22(23)34-15-24-28-19-7-3-2-6-18(19)26(32)31-24/h2-13H,15H2,1H3,(H,29,30)(H,28,31,32)/b17-12-InChIKey
QJACMJWCLIGVFG-ATVHPVEESA-NSynonyms
(2Z)2(1Hbenzimidazol2yl)3(3methoxy4((4oxo34dihydroquinazolin2yl)methoxy)phenyl)prop2enenitrile
(Z)2(1Hbenzimidazol2yl)3(3methoxy4((4oxo1Hquinazolin2yl)methoxy)phenyl)prop2enenitrile
COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC4=NC(=O)C5=CC=CC=C5N4
COc1cc(ccc1OCc1nc2ccccc2c(=O)(nH)1)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC26H19N5O3c133231316(1217(1427)252920845921(20)3025)101122(23)3415242819732618(19)26(32)3124h213H15H21H3(H2930)(H283132)b1712
MFCD09271003
ZINC000013943507
ZINC13943507
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