Vitas-M small molecule compound

3-{[7-hydroxy-3-(4-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
STL512058
SMILES COc1ccc(cc1)c1coc2c(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/c1-34-20-7-5-18(6-8-20)23-16-35-28-21(27(23)33)9-10-25(31)22(28)15-29-12-17-11-19(14-29)24-3-2-4-26(32)30(24)13-17/h2-10,16-17,19,31H,11-15H2,1H3
InChIKey
WKQHKMRCOFAVLC-UHFFFAOYSA-N
Synonyms
1040711-87-2
(1R5S)3((7hydroxy3(4methoxyphenyl)4oxo4Hchromen8yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
1040711872
11((7hydroxy3(4methoxyphenyl)4oxochromen8yl)methyl)711diazatricyclo(7310^(27))trideca24dien6one
24280360
3((7hydroxy3(4methoxyphenyl)4oxo4Hchromen8yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1ccc(cc1)c1coc2c(c1=O)ccc(c2CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)O
InChI=1SC28H26N2O5c134207518(6820)2316352821(27(23)33)91025(31)22(28)152912171119(1429)2432426(32)30(24)1317h21016171931H1115H21H3
MFCD10041410
ZINC000011865361

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Available files

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