Vitas-M small molecule compound
5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzyl}-1,3-dimethyl-5-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL526812
SMILES COc1cc(ccc1OCc1ccc(cc1)F)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)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 C33H35FN4O6 MW 602.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35FN4O6/c1-35-30(40)33(31(41)36(2)32(35)42,20-37-16-23-13-24(18-37)26-5-4-6-29(39)38(26)17-23)15-22-9-12-27(28(14-22)43-3)44-19-21-7-10-25(34)11-8-21/h4-12,14,23-24H,13,15-20H2,1-3H3/t23-,24+/m0/s1InChIKey
JLKNPYIKONMMPV-BJKOFHAPSA-NSynonyms
5(4((4fluorobenzyl)oxy)3methoxybenzyl)13dimethyl5(((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)pyrimidine246(1H3H5H)trione
5(4((4fluorobenzyl)oxy)3methoxybenzyl)13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)pyrimidine246(1H3H5H)trione
COc1cc(ccc1OCc1ccc(cc1)F)CC1(CN2C(C@H)3C(C@H)(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
InChI=1SC33H35FN4O6c13530(40)33(31(41)36(2)32(35)42203716231324(1837)2654629(39)38(26)1723)152291227(28(1422)433)44192171025(34)11821h412142324H131520H213H3t2324+m0s1
MFCD03006405
ZINC000100746789
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