Vitas-M small molecule compound
(2E)-3-[2-(4-methoxyphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK817376
SMILES COc1ccc(cc1)Oc1nc2c(C)cccn2c(=O)c1/C=C(/c1nc2c(n1C)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 C27H21N5O3 MW 463.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O3/c1-17-7-6-14-32-24(17)30-26(35-20-12-10-19(34-3)11-13-20)21(27(32)33)15-18(16-28)25-29-22-8-4-5-9-23(22)31(25)2/h4-15H,1-3H3/b18-15+InChIKey
MHXGTQOXASJDMP-OBGWFSINSA-NSynonyms
620112-17-6(2E)3(2(4methoxyphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2(1methyl1Hbenzimidazol2yl)prop2enenitrile
(E)3(2(4methoxyphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2(1methyl1Hbenzo(d)imidazol2yl)acrylonitrile
(E)3(2(4METHOXYPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2(1METHYLBENZIMIDAZOL2YL)PROP2ENENITRILE
620112176
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C3=NC4=CC=CC=C4N3C)OC5=CC=C(C=C5)OC
COc1ccc(cc1)Oc1nc2c(C)cccn2c(=O)c1C=C(c1nc2c(n1C)cccc2)C#N
InChI=1SC27H21N5O3c11776143224(17)3026(3520121019(343)111320)21(27(32)33)1518(1628)252922845923(22)31(25)2h415H13H3b1815+
MFCD04172159
ZINC000009282296
ZINC9282296
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