Vitas-M small molecule compound
3-{[7-hydroxy-3-(4-methoxyphenyl)-2-methyl-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
STL466704
SMILES COc1ccc(cc1)c1c(C)oc2c(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 C29H28N2O5 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O5/c1-17-27(19-6-8-21(35-2)9-7-19)28(34)22-10-11-25(32)23(29(22)36-17)16-30-13-18-12-20(15-30)24-4-3-5-26(33)31(24)14-18/h3-11,18,20,32H,12-16H2,1-2H3InChIKey
NRCKMRJQPMCRBH-UHFFFAOYSA-NSynonyms
(1R5S)3((7hydroxy3(4methoxyphenyl)2methyl4oxo4Hchromen8yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
3((7hydroxy3(4methoxyphenyl)2methyl4oxo4Hchromen8yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CC4CC(C3)C5=CC=CC(=O)N5C4)C6=CC=C(C=C6)OC
COc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)O
InChI=1SC29H28N2O5c11727(196821(352)9719)28(34)22101125(32)23(29(22)3617)163013181220(1530)2443526(33)31(24)1418h311182032H1216H212H3
MFCD31750921
ZINC000020763263
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