Vitas-M small molecule compound
[1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](2-methoxyphenyl)methanone
Catalog ID
STL541032
SMILES COc1ccc(c(c1)OC)C1N(CCC2(C1CCCC2)O)C(=O)c1ccccc1OC
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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 C25H31NO5 MW 425.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO5/c1-29-17-11-12-18(22(16-17)31-3)23-20-9-6-7-13-25(20,28)14-15-26(23)24(27)19-8-4-5-10-21(19)30-2/h4-5,8,10-12,16,20,23,28H,6-7,9,13-15H2,1-3H3InChIKey
ISANWGVGUDGPST-UHFFFAOYSA-NSynonyms
((1R)1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)(2methoxyphenyl)methanone
(1(24dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)(2methoxyphenyl)methanone
(1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)(2methoxyphenyl)methanone
3281216
COc1ccc(c(c1)OC)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)c1ccccc1OC
InChI=1SC25H31NO5c12917111218(22(1617)313)23209671325(2028)141526(23)24(27)198451021(19)302h458101216202328H6791315H213H3
MFCD04146146
ZINC000002105175
ZINC000015953580
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