Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STK800350
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)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 C29H25N5O2 MW 475.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5O2/c1-18-8-7-15-34-26(18)33-27(36-21-13-11-20(12-14-21)29(2,3)4)22(28(34)35)16-19(17-30)25-31-23-9-5-6-10-24(23)32-25/h5-16H,1-4H3,(H,31,32)/b19-16+InChIKey
XDRWLFLHFPQTNA-KNTRCKAVSA-NSynonyms
620111-22-0(2E)2(1Hbenzimidazol2yl)3(2(4tertbutylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(2(4TERTBUTYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(1Hbenzo(d)imidazol2yl)3(2(4(tertbutyl)phenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
620111220
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C3=NC4=CC=CC=C4N3)OC5=CC=C(C=C5)C(C)(C)C
InChI=1SC29H25N5O2c11887153426(18)3327(3621131120(121421)29(23)4)22(28(34)35)1619(1730)2531239561024(23)3225h516H14H3(H3132)b1916+
MFCD04166163
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)c1nc2c((nH)1)cccc2
ZINC000008590252
ZINC8590252
Check stock
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Check stock on Vitas-MAvailable files
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