Vitas-M small molecule compound
methyl (1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STL540605
SMILES COc1ccc(c(c1)OC)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)OC
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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 C19H27NO5 MW 349.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27NO5/c1-23-13-7-8-14(16(12-13)24-2)17-15-6-4-5-9-19(15,22)10-11-20(17)18(21)25-3/h7-8,12,15,17,22H,4-6,9-11H2,1-3H3/t15-,17-,19-/m0/s1InChIKey
CDUMSVXDUBDRLR-IEZWGBDMSA-NSynonyms
956129-12-7(1R)methyl1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinoline2(1H)carboxylate
7088202
956129127
COc1ccc(c(c1)OC)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)OC
InChI=1SC19H27NO5c123137814(16(1213)242)1715645919(1522)101120(17)18(21)253h7812151722H46911H213H3t151719m0s1
methyl(1~(R)4~(a)~(S)8~(a)~(S))1(24dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinoline2carboxylate
methyl(1R4aS8aS)1(24dimethoxyphenyl)4ahydroxyoctahydroisoquinoline2(1H)carboxylate
MFCD06764540
ZINC000004064434
ZINC4064434
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