Vitas-M small molecule compound
ethyl (1R,4aS,8aS)-1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STL547019
SMILES CCOC(=O)N1CC[C@@]2([C@H]([C@@H]1c1ccccc1OCC)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 C20H29NO4 MW 347.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29NO4/c1-3-24-17-11-6-5-9-15(17)18-16-10-7-8-12-20(16,23)13-14-21(18)19(22)25-4-2/h5-6,9,11,16,18,23H,3-4,7-8,10,12-14H2,1-2H3/t16-,18-,20-/m0/s1InChIKey
DACSVXUPQCTHND-QRFRQXIXSA-NSynonyms
955961-79-2(1R)ethyl1(2ethoxyphenyl)4ahydroxyoctahydroisoquinoline2(1H)carboxylate
908664
955961792
CCOC(=O)N1CCC2(C((C@@H)1c1ccccc1OCC)CCCC2)O
ethyl(1~(R)4~(a)~(S)8~(a)~(S))1(2ethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinoline2carboxylate
ethyl(1R4aS8aS)1(2ethoxyphenyl)4ahydroxyoctahydroisoquinoline2(1H)carboxylate
InChI=1SC20H29NO4c1324171165915(17)181610781220(1623)131421(18)19(22)2542h56911161823H3478101214H212H3t161820m0s1
MFCD06764500
ZINC000000490862
ZINC490862
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