Vitas-M small molecule compound
(2E)-2-[(4-bromophenyl)sulfonyl]-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STK820153
SMILES N#C/C(=C\c1c(Oc2cccc(c2C)C)nc2n(c1=O)cccc2C)/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 C26H20BrN3O4S MW 550.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20BrN3O4S/c1-16-6-4-8-23(18(16)3)34-25-22(26(31)30-13-5-7-17(2)24(30)29-25)14-21(15-28)35(32,33)20-11-9-19(27)10-12-20/h4-14H,1-3H3/b21-14+InChIKey
AOODOMKLTMNBPH-KGENOOAVSA-NSynonyms
620537-67-9(2E)2((4bromophenyl)sulfonyl)3(2(23dimethylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2((4bromophenyl)sulfonyl)3(2(23dimethylphenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)acrylonitrile
(E)2(4BROMOPHENYL)SULFONYL3(2(23DIMETHYLPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
620537679
CC1=C(C(=CC=C1)OC2=C(C(=O)N3C=CC=C(C3=N2)C)C=C(C#N)S(=O)(=O)C4=CC=C(C=C4)Br)C
InChI=1SC26H20BrN3O4Sc11664823(18(16)3)342522(26(31)30135717(2)24(30)2925)1421(1528)35(3233)2011919(27)101220h414H13H3b2114+
MFCD05706211
N#CC(=Cc1c(Oc2cccc(c2C)C)nc2n(c1=O)cccc2C)S(=O)(=O)c1ccc(cc1)Br
ZINC000100929296
ZINC100929296
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