Vitas-M small molecule compound
3-{[7-hydroxy-3-(4-methoxyphenyl)-4-methyl-2-oxo-2H-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
STL512057
SMILES COc1ccc(cc1)c1c(=O)oc2c(c1C)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/c1-17-22-10-11-25(32)23(28(22)36-29(34)27(17)19-6-8-21(35-2)9-7-19)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
SEWGKYURSPFCRW-UHFFFAOYSA-NSynonyms
1040706-81-7(1R5S)3((7hydroxy3(4methoxyphenyl)4methyl2oxo2Hchromen8yl)methyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
1040706817
11((7hydroxy3(4methoxyphenyl)4methyl2oxochromen8yl)methyl)711diazatricyclo(7310^(27))trideca24dien6one
24280353
3((7hydroxy3(4methoxyphenyl)4methyl2oxo2Hchromen8yl)methyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1ccc(cc1)c1c(=O)oc2c(c1C)ccc(c2CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)O
InChI=1SC29H28N2O5c11722101125(32)23(28(22)3629(34)27(17)196821(352)9719)163013181220(1530)2443526(33)31(24)1418h311182032H1216H212H3
MFCD10041403
ZINC000011865354
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