Vitas-M small molecule compound
5-(4-methoxybenzyl)-2,2-dimethyl-5-{[(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
STL537727
SMILES COc1ccc(cc1)CC1(CN2C[C@@H]3C[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 C26H30N2O6 MW 466.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O6/c1-25(2)33-23(30)26(24(31)34-25,12-17-7-9-20(32-3)10-8-17)16-27-13-18-11-19(15-27)21-5-4-6-22(29)28(21)14-18/h4-10,18-19H,11-16H2,1-3H3/t18-,19+/m1/s1InChIKey
CANLEWXPTZODFA-MOPGFXCFSA-NSynonyms
1212490-60-21212490602
5(4methoxybenzyl)22dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)13dioxane46dione
5(4methoxybenzyl)22dimethyl5(((5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)13dioxane46dione
COc1ccc(cc1)CC1(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C(=O)OC(OC1=O)(C)C
InChI=1SC26H30N2O6c125(2)3323(30)26(24(31)342512177920(323)10817)162713181119(1527)2154622(29)28(21)1418h4101819H1116H213H3t1819+m1s1
ZINC000049708052
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