Vitas-M small molecule compound
(2E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STL200797
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)/c1nc2c(n1C)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 C30H27N5O2 MW 489.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N5O2/c1-19-9-8-16-35-26(19)33-28(37-22-14-12-21(13-15-22)30(2,3)4)23(29(35)36)17-20(18-31)27-32-24-10-6-7-11-25(24)34(27)5/h6-17H,1-5H3/b20-17+InChIKey
KZCDLNIVBBESDJ-LVZFUZTISA-NSynonyms
620111-23-1(2E)3(2(4tertbutylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2(1methyl1Hbenzimidazol2yl)prop2enenitrile
(E)3(2(4(tertbutyl)phenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2(1methyl1Hbenzo(d)imidazol2yl)acrylonitrile
(E)3(2(4TERTBUTYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2(1METHYLBENZIMIDAZOL2YL)PROP2ENENITRILE
620111231
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C3=NC4=CC=CC=C4N3C)OC5=CC=C(C=C5)C(C)(C)C
InChI=1SC30H27N5O2c11998163526(19)3328(3722141221(131522)30(23)4)23(29(35)36)1720(1831)27322410671125(24)34(27)5h617H15H3b2017+
MFCD04155126
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)c1nc2c(n1C)cccc2
ZINC000009191796
ZINC9191796
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