Vitas-M small molecule compound
[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl](9H-xanthen-9-yl)methanone
Catalog ID
STL537985
SMILES COc1ccccc1C1N(CCC2(C1CCCC2)O)C(=O)C1c2ccccc2Oc2c1cccc2
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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 C30H31NO4 MW 469.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO4/c1-34-24-14-5-4-12-22(24)28-23-13-8-9-17-30(23,33)18-19-31(28)29(32)27-20-10-2-6-15-25(20)35-26-16-7-3-11-21(26)27/h2-7,10-12,14-16,23,27-28,33H,8-9,13,17-19H2,1H3InChIKey
AZCJHHSJTCPTHG-UHFFFAOYSA-NSynonyms
((1R)4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)(9Hxanthen9yl)methanone
(4~(a)hydroxy1(2methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)(9~(H)xanthen9yl)methanone
(4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)(9Hxanthen9yl)methanone
3738236
COc1ccccc1(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C1c2ccccc2Oc2c1cccc2
InChI=1SC30H31NO4c1342414541222(24)282313891730(2333)181931(28)29(32)272010261525(20)352616731121(26)27h271012141623272833H89131719H21H3
MFCD04143926
ZINC000002100386
ZINC000033931313
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