Vitas-M small molecule compound
(2E)-3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile
Catalog ID
STK904646
SMILES N#C/C(=C\c1c(nc2n(c1=O)cccc2)N1CCCCCC1)/S(=O)(=O)c1ccc(cc1)Cl
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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 C23H21ClN4O3S MW 468.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O3S/c24-17-8-10-18(11-9-17)32(30,31)19(16-25)15-20-22(27-12-4-1-2-5-13-27)26-21-7-3-6-14-28(21)23(20)29/h3,6-11,14-15H,1-2,4-5,12-13H2/b19-15+InChIKey
BWMVHODCWIHCOZ-XDJHFCHBSA-NSynonyms
797799-65-6(2E)3(2(azepan1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2((4chlorophenyl)sulfonyl)prop2enenitrile
(E)3(2(azepan1yl)4oxo4Hpyrido(12a)pyrimidin3yl)2((4chlorophenyl)sulfonyl)acrylonitrile
(E)3(2(AZEPAN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)2(4CHLOROPHENYL)SULFONYLPROP2ENENITRILE
797799656
C1CCCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)S(=O)(=O)C4=CC=C(C=C4)Cl
InChI=1SC23H21ClN4O3Sc241781018(11917)32(3031)19(1625)152022(271241251327)26217361428(21)23(20)29h36111415H12451213H2b1915+
MFCD03668679
N#CC(=Cc1c(nc2n(c1=O)cccc2)N1CCCCCC1)S(=O)(=O)c1ccc(cc1)Cl
ZINC000002197545
ZINC2197545
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