Vitas-M small molecule compound
(2E)-3-[2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile
Catalog ID
STK586255
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2C)N1CCCCCC1)/S(=O)(=O)c1ccccc1
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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 C24H24N4O3S MW 448.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O3S/c1-18-10-9-15-28-22(18)26-23(27-13-7-2-3-8-14-27)21(24(28)29)16-20(17-25)32(30,31)19-11-5-4-6-12-19/h4-6,9-12,15-16H,2-3,7-8,13-14H2,1H3/b20-16+InChIKey
QRVOUWRGIMSEHW-CAPFRKAQSA-NSynonyms
896810-14-3(2E)3(2(azepan1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2(phenylsulfonyl)prop2enenitrile
(E)3(2(azepan1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)2(phenylsulfonyl)acrylonitrile
(E)3(2(AZEPAN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)2(BENZENESULFONYL)PROP2ENENITRILE
896810143
CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)N4CCCCCC4
InChI=1SC24H24N4O3Sc118109152822(18)2623(271372381427)21(24(28)29)1620(1725)32(3031)19115461219h469121516H23781314H21H3b2016+
MFCD03669130
N#CC(=Cc1c(nc2n(c1=O)cccc2C)N1CCCCCC1)S(=O)(=O)c1ccccc1
ZINC000002202476
ZINC2202476
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