Vitas-M small molecule compound
5-(3-bromo-4-hydroxy-5-methoxyphenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
Catalog ID
STK336143
SMILES COc1cc(cc(c1O)Br)C1C2=C(Nc3c1c(=O)[nH]c(=O)[nH]3)c1c(C2=O)cccc1
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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 C21H14BrN3O5 MW 468.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrN3O5/c1-30-12-7-8(6-11(22)18(12)27)13-14-16(9-4-2-3-5-10(9)17(14)26)23-19-15(13)20(28)25-21(29)24-19/h2-7,13,27H,1H3,(H3,23,24,25,28,29)InChIKey
CAOZOSZPTPSWEK-UHFFFAOYSA-NSynonyms
5(3bromo4hydroxy5methoxyphenyl)511dihydro1Hindeno(2156)pyrido(23d)pyrimidine246(3H)trione
COC1=C(C(=CC(=C1)C2C3=C(C4=CC=CC=C4C3=O)NC5=C2C(=O)NC(=O)N5)Br)O
COc1cc(cc(c1O)Br)C1C2=C(Nc3c1c(=O)(nH)c(=O)(nH)3)c1c(C2=O)cccc1
InChI=1SC21H14BrN3O5c1301278(611(22)18(12)27)131416(9423510(9)17(14)26)231915(13)20(28)2521(29)2419h271327H1H3(H32324252829)
MFCD09964525
ZINC000018201142
ZINC000018201144
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