Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STK705455
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)/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 C28H23N5O2 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N5O2/c1-28(2,3)19-11-13-20(14-12-19)35-26-21(27(34)33-15-7-6-10-24(33)32-26)16-18(17-29)25-30-22-8-4-5-9-23(22)31-25/h4-16H,1-3H3,(H,30,31)/b18-16+InChIKey
UQUGFARTVWSTCN-FBMGVBCBSA-NSynonyms
620104-97-4(2E)2(1Hbenzimidazol2yl)3(2(4tertbutylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2(1HBENZIMIDAZOL2YL)3(2(4TERTBUTYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)2(1Hbenzo(d)imidazol2yl)3(2(4(tertbutyl)phenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
620104974
CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C4=NC5=CC=CC=C5N4
InChI=1SC28H23N5O2c128(23)19111320(141219)352621(27(34)3315761024(33)3226)1618(1729)253022845923(22)3125h416H13H3(H3031)b1816+
MFCD04197573
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2)c1nc2c((nH)1)cccc2
ZINC000008590239
ZINC8590239
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