Vitas-M small molecule compound
3-{[7-hydroxy-3-(2-methoxyphenyl)-4-oxo-4H-chromen-8-yl]methyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL477308
SMILES COc1ccccc1c1coc2c(c1=O)ccc(c2CN1CC2CC(C1)c1n(C2)c(=O)ccc1)O
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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 C28H26N2O5 MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O5/c1-34-25-7-3-2-5-19(25)22-16-35-28-20(27(22)33)9-10-24(31)21(28)15-29-12-17-11-18(14-29)23-6-4-8-26(32)30(23)13-17/h2-10,16-18,31H,11-15H2,1H3InChIKey
PXOCXEJSQLPICL-UHFFFAOYSA-NSynonyms
1040701-16-3(1R5S)3((7hydroxy3(2methoxyphenyl)4oxo4Hchromen8yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
1040701163
3((7hydroxy3(2methoxyphenyl)4oxo4Hchromen8yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3CN4CC5CC(C4)C6=CC=CC(=O)N6C5)O
COc1ccccc1c1coc2c(c1=O)ccc(c2CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)O
InChI=1SC28H26N2O5c13425732519(25)2216352820(27(22)33)91024(31)21(28)152912171118(1429)2364826(32)30(23)1317h210161831H1115H21H3
MFCD10041407
ZINC000011865358
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