Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STK800356
SMILES COc1ccc(cc1)Oc1nc2c(C)cccn2c(=O)c1/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/c1-16-6-5-13-31-24(16)30-25(34-19-11-9-18(33-2)10-12-19)20(26(31)32)14-17(15-27)23-28-21-7-3-4-8-22(21)29-23/h3-14H,1-2H3,(H,28,29)/b17-14+InChIKey
AWOOPFFMOZQUSA-SAPNQHFASA-NSynonyms
620112-16-5(2E)2(1Hbenzimidazol2yl)3(2(4methoxyphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(2(4METHOXYPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(1Hbenzo(d)imidazol2yl)3(2(4methoxyphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
620112165
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C3=NC4=CC=CC=C4N3)OC5=CC=C(C=C5)OC
COc1ccc(cc1)Oc1nc2c(C)cccn2c(=O)c1C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC26H19N5O3c11665133124(16)3025(341911918(332)101219)20(26(31)32)1417(1527)232821734822(21)2923h314H12H3(H2829)b1714+
MFCD04163467
ZINC000008590256
ZINC8590256
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