Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STK705483
SMILES N#C/C(=C\c1c(Oc2cc(C)cc(c2)C)nc2n(c1=O)cccc2C)/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 C27H21N5O2 MW 447.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O2/c1-16-11-17(2)13-20(12-16)34-26-21(27(33)32-10-6-7-18(3)25(32)31-26)14-19(15-28)24-29-22-8-4-5-9-23(22)30-24/h4-14H,1-3H3,(H,29,30)/b19-14+InChIKey
OKWGMRBOEWDVJI-XMHGGMMESA-NSynonyms
620537-30-6(2E)2(1Hbenzimidazol2yl)3(2(35dimethylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(2(35DIMETHYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(1Hbenzo(d)imidazol2yl)3(2(35dimethylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
620537306
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C3=NC4=CC=CC=C4N3)OC5=CC(=CC(=C5)C)C
InChI=1SC27H21N5O2c1161117(2)1320(1216)342621(27(33)32106718(3)25(32)3126)1419(1528)242922845923(22)3024h414H13H3(H2930)b1914+
MFCD04195660
N#CC(=Cc1c(Oc2cc(C)cc(c2)C)nc2n(c1=O)cccc2C)c1nc2c((nH)1)cccc2
ZINC000008590276
ZINC8590276
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