Vitas-M small molecule compound

(2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile

Catalog ID
STK589902
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCCCCC1)/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 C25H26N4O3S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S/c1-18-9-11-20(12-10-18)33(31,32)21(17-26)16-22-24(28-13-5-3-4-6-14-28)27-23-19(2)8-7-15-29(23)25(22)30/h7-12,15-16H,3-6,13-14H2,1-2H3/b21-16+
InChIKey
OZOYFRHSCJMOIU-LTGZKZEYSA-N
Synonyms
896804-52-7
(2E)3(2(azepan1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2((4methylphenyl)sulfonyl)prop2enenitrile
(E)3(2(azepan1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2tosylacrylonitrile
(E)3(2(AZEPAN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2(4METHYLPHENYL)SULFONYLPROP2ENENITRILE
896804527
CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCCCCC4)C#N
InChI=1SC25H26N4O3Sc11891120(121018)33(3132)21(1726)162224(281353461428)272319(2)871529(23)25(22)30h7121516H361314H212H3b2116+
MFCD03671651
N#CC(=Cc1c(nc2n(c1=O)cccc2C)N1CCCCCC1)S(=O)(=O)c1ccc(cc1)C
ZINC000009242808
ZINC9242808

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Available files

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