Vitas-M small molecule compound
(2E)-3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
Catalog ID
STK817942
SMILES N#C/C(=C\c1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)/S(=O)(=O)c1ccc(cc1)C
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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 C29H27N3O4S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4S/c1-19-8-14-23(15-9-19)37(34,35)24(18-30)17-25-27(31-26-20(2)7-6-16-32(26)28(25)33)36-22-12-10-21(11-13-22)29(3,4)5/h6-17H,1-5H3/b24-17+InChIKey
YUFVKIYZIMMJAV-JJIBRWJFSA-NSynonyms
620111-25-3(2E)3(2(4tertbutylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2((4methylphenyl)sulfonyl)prop2enenitrile
(E)3(2(4(tertbutyl)phenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2tosylacrylonitrile
(E)3(2(4TERTBUTYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2(4METHYLPHENYL)SULFONYLPROP2ENENITRILE
620111253
CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)OC4=CC=C(C=C4)C(C)(C)C)C#N
InChI=1SC29H27N3O4Sc11981423(15919)37(3435)24(1830)172527(312620(2)761632(26)28(25)33)3622121021(111322)29(34)5h617H15H3b2417+
MFCD04447652
N#CC(=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc2n(c1=O)cccc2C)S(=O)(=O)c1ccc(cc1)C
ZINC000009345441
ZINC9345441
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