Vitas-M small molecule compound

(2E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-chloro-3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

Catalog ID
STK819061
SMILES N#C/C(=C\c1c(Oc2ccc(c(c2)C)Cl)nc2n(c1=O)cccc2)/c1nc2c([nH]1)cccc2

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We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C25H16ClN5O2 MW 453.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16ClN5O2/c1-15-12-17(9-10-19(15)26)33-24-18(25(32)31-11-5-4-8-22(31)30-24)13-16(14-27)23-28-20-6-2-3-7-21(20)29-23/h2-13H,1H3,(H,28,29)/b16-13+
InChIKey
KTECYUHMYYZZEN-DTQAZKPQSA-N
Synonyms
620108-19-2
(2E)2(1Hbenzimidazol2yl)3(2(4chloro3methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(2(4CHLORO3METHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(1Hbenzo(d)imidazol2yl)3(2(4chloro3methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
620108192
CC1=C(C=CC(=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C4=NC5=CC=CC=C5N4)Cl
InChI=1SC25H16ClN5O2c1151217(91019(15)26)332418(25(32)311154822(31)3024)1316(1427)232820623721(20)2923h213H1H3(H2829)b1613+
MFCD04448192
N#CC(=Cc1c(Oc2ccc(c(c2)C)Cl)nc2n(c1=O)cccc2)c1nc2c((nH)1)cccc2
ZINC000009292933
ZINC9292933

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Available files

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