Vitas-M small molecule compound
(2E)-2-[(4-bromophenyl)sulfonyl]-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Catalog ID
STK706162
SMILES N#C/C(=C\c1c(Oc2cccc(c2)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 C25H18BrN3O4S MW 536.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrN3O4S/c1-16-5-3-7-19(13-16)33-24-22(25(30)29-12-4-6-17(2)23(29)28-24)14-21(15-27)34(31,32)20-10-8-18(26)9-11-20/h3-14H,1-2H3/b21-14+InChIKey
PPXQVSRCFTVIQQ-KGENOOAVSA-NSynonyms
620112-85-8(2E)2((4bromophenyl)sulfonyl)3(9methyl2(3methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)prop2enenitrile
(E)2((4bromophenyl)sulfonyl)3(9methyl4oxo2(mtolyloxy)4Hpyrido(12a)pyrimidin3yl)acrylonitrile
(E)2(4BROMOPHENYL)SULFONYL3(9METHYL2(3METHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
620112858
CC1=CC(=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
InChI=1SC25H18BrN3O4Sc11653719(1316)332422(25(30)29124617(2)23(29)2824)1421(1527)34(3132)2010818(26)91120h314H12H3b2114+
MFCD04448295
N#CC(=Cc1c(Oc2cccc(c2)C)nc2n(c1=O)cccc2C)S(=O)(=O)c1ccc(cc1)Br
ZINC000100906572
ZINC100906572
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