Vitas-M small molecule compound
(2E)-2-[(4-bromophenyl)sulfonyl]-3-[2-(2,3-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STK706136
SMILES N#C/C(=C\c1c(Oc2cccc(c2C)C)nc2n(c1=O)cccc2)/S(=O)(=O)c1ccc(cc1)Br
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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 C25H18BrN3O4S MW 536.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrN3O4S/c1-16-6-5-7-22(17(16)2)33-24-21(25(30)29-13-4-3-8-23(29)28-24)14-20(15-27)34(31,32)19-11-9-18(26)10-12-19/h3-14H,1-2H3/b20-14+InChIKey
GJFZUBQKRYAREP-XSFVSMFZSA-NSynonyms
620109-42-4(2E)2((4bromophenyl)sulfonyl)3(2(23dimethylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2((4bromophenyl)sulfonyl)3(2(23dimethylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
(E)2(4BROMOPHENYL)SULFONYL3(2(23DIMETHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
620109424
CC1=C(C(=CC=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)S(=O)(=O)C4=CC=C(C=C4)Br)C
InChI=1SC25H18BrN3O4Sc11665722(17(16)2)332421(25(30)291343823(29)2824)1420(1527)34(3132)1911918(26)101219h314H12H3b2014+
MFCD05699162
N#CC(=Cc1c(Oc2cccc(c2C)C)nc2n(c1=O)cccc2)S(=O)(=O)c1ccc(cc1)Br
ZINC000100904901
ZINC100904901
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