Vitas-M small molecule compound
5-(4-ethoxybenzyl)-2,2-dimethyl-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,3-dioxane-4,6-dione
Catalog ID
STL553229
SMILES CCOc1ccc(cc1)CC1(CN2CC3C[C@H](C2)c2n(C3)c(=O)ccc2)C(=O)OC(OC1=O)(C)C
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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 C27H32N2O6 MW 480.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O6/c1-4-33-21-10-8-18(9-11-21)13-27(24(31)34-26(2,3)35-25(27)32)17-28-14-19-12-20(16-28)22-6-5-7-23(30)29(22)15-19/h5-11,19-20H,4,12-17H2,1-3H3/t19?,20-/m0/s1InChIKey
HJBLCSRMJUOKDC-ANYOKISRSA-NSynonyms
5(4ethoxybenzyl)22dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)13dioxane46dione
5(4ethoxybenzyl)22dimethyl5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)13dioxane46dione
CCOc1ccc(cc1)CC1(CN2C(C@@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)C(=O)OC(OC1=O)(C)C
InChI=1SC27H32N2O6c14332110818(91121)1327(24(31)3426(23)3525(27)32)172814191220(1628)2265723(30)29(22)1519h5111920H41217H213H3t19?20m0s1
ZINC000100778418
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