Vitas-M small molecule compound
3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}benzo[f]quinoline-1-carboxylic acid
Catalog ID
STK380194
SMILES COc1cc(ccc1Oc1nc2c(n1C)c(=O)n(c(=O)n2C)C)c1nc2ccc3c(c2c(c1)C(=O)O)cccc3
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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 C29H23N5O6 MW 537.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O6/c1-32-24-25(33(2)29(38)34(3)26(24)35)31-28(32)40-21-12-10-16(13-22(21)39-4)20-14-18(27(36)37)23-17-8-6-5-7-15(17)9-11-19(23)30-20/h5-14H,1-4H3,(H,36,37)InChIKey
RBCIGNOERDIOIY-UHFFFAOYSA-NSynonyms
3(3methoxy4((137trimethyl26dioxo2367tetrahydro1Hpurin8yl)oxy)phenyl)benzo(f)quinoline1carboxylicacid
3(3METHOXY4(137TRIMETHYL26DIOXOPURIN8YL)OXYPHENYL)BENZO(F)QUINOLINE1CARBOXYLICACID
CN1C2=C(N=C1OC3=C(C=C(C=C3)C4=NC5=C(C6=CC=CC=C6C=C5)C(=C4)C(=O)O)OC)N(C(=O)N(C2=O)C)C
InChI=1SC29H23N5O6c1322425(33(2)29(38)34(3)26(24)35)3128(32)4021121016(1322(21)394)201418(27(36)37)2317865715(17)91119(23)3020h514H14H3(H3637)
MFCD02314136
ZINC000004112999
ZINC4112999
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