Vitas-M small molecule compound
1-[(1R,4aS,8aS)-4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]butan-1-one
Catalog ID
STL546856
SMILES CCCC(=O)N1CC[C@@]2([C@H]([C@@H]1c1ccc(cc1)OC)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 C20H29NO3 MW 331.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29NO3/c1-3-6-18(22)21-14-13-20(23)12-5-4-7-17(20)19(21)15-8-10-16(24-2)11-9-15/h8-11,17,19,23H,3-7,12-14H2,1-2H3/t17-,19-,20-/m0/s1InChIKey
NSLIRMJVWSACDZ-IHPCNDPISA-NSynonyms
1((1~(R)4~(a)~(S)8~(a)~(S))4~(a)hydroxy1(4methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)butan1one
1((1R)4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)butan1one
1((1R4aS8aS)4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)butan1one
11875025
CCCC(=O)N1CCC2(C((C@@H)1c1ccc(cc1)OC)CCCC2)O
InChI=1SC20H29NO3c13618(22)21141320(23)1254717(20)19(21)1581016(242)11915h811171923H371214H212H3t171920m0s1
ZINC000004047269
ZINC4047269
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