Vitas-M small molecule compound
methyl (1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STL548596
SMILES COC(=O)N1CC[C@@]2([C@H]([C@@H]1c1ccc3c(c1)OCO3)CCCC2)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 C18H23NO5 MW 333.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23NO5/c1-22-17(20)19-9-8-18(21)7-3-2-4-13(18)16(19)12-5-6-14-15(10-12)24-11-23-14/h5-6,10,13,16,21H,2-4,7-9,11H2,1H3/t13-,16-,18-/m0/s1InChIKey
ADMHCUGDCQFUMO-OWQGQXMQSA-NSynonyms
955972-46-0(1R)methyl1(benzo(d)(13)dioxol5yl)4ahydroxyoctahydroisoquinoline2(1H)carboxylate
908807
955972460
COC(=O)N1CCC2(C((C@@H)1c1ccc3c(c1)OCO3)CCCC2)O
InChI=1SC18H23NO5c12217(20)199818(21)732413(18)16(19)12561415(1012)24112314h5610131621H247911H21H3t131618m0s1
methyl(1~(R)4~(a)~(S)8~(a)~(S))1(13benzodioxol5yl)4~(a)hydroxy13456788~(a)octahydroisoquinoline2carboxylate
methyl(1R4aS8aS)1(13benzodioxol5yl)4ahydroxyoctahydroisoquinoline2(1H)carboxylate
MFCD06764529
ZINC000000491042
ZINC491042
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