Vitas-M small molecule compound
[4a-hydroxy-1-(3,4,5-trimethoxyphenyl)octahydroisoquinolin-2(1H)-yl](phenyl)methanone
Catalog ID
STL175145
SMILES COc1cc(cc(c1OC)OC)C1N(CCC2(C1CCCC2)O)C(=O)c1ccccc1
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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/c1-29-20-15-18(16-21(30-2)23(20)31-3)22-19-11-7-8-12-25(19,28)13-14-26(22)24(27)17-9-5-4-6-10-17/h4-6,9-10,15-16,19,22,28H,7-8,11-14H2,1-3H3InChIKey
ITSCQCNNKPDZBV-UHFFFAOYSA-NSynonyms
((1R)4ahydroxy1(345trimethoxyphenyl)octahydroisoquinolin2(1H)yl)(phenyl)methanone
(4ahydroxy1(345trimethoxyphenyl)13456788aoctahydroisoquinolin2yl)phenylmethanone
(4ahydroxy1(345trimethoxyphenyl)octahydroisoquinolin2(1H)yl)(phenyl)methanone
2(PHENYLCARBONYL)1(345TRIMETHOXYPHENYL)OCTAHYDROISOQUINOLIN4A(2H)OL
COC1=CC(=CC(=C1OC)OC)C2C3CCCCC3(CCN2C(=O)C4=CC=CC=C4)O
COc1cc(cc(c1OC)OC)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)c1ccccc1
InChI=1SC25H31NO5c129201518(1621(302)23(20)313)221911781225(1928)131426(22)24(27)1795461017h469101516192228H781114H213H3
MFCD04144852
ZINC000002102703
ZINC000017028972
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