Vitas-M small molecule compound
(1R,2S)-2-[(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]cyclohexanecarboxylic acid
Catalog ID
STL532650
SMILES COc1cc2c(cc1OC)CCN(C2c1ccccc1)C(=O)[C@H]1CCCC[C@H]1C(=O)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 C25H29NO5 MW 423.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5/c1-30-21-14-17-12-13-26(24(27)18-10-6-7-11-19(18)25(28)29)23(16-8-4-3-5-9-16)20(17)15-22(21)31-2/h3-5,8-9,14-15,18-19,23H,6-7,10-13H2,1-2H3,(H,28,29)/t18-,19+,23?/m0/s1InChIKey
VLGSWNDVRXREIF-HXIJRHRVSA-NSynonyms
956950-07-5(1~(R)2~(S))2(67dimethoxy1phenyl34dihydro1~(H)isoquinoline2carbonyl)cyclohexane1carboxylicacid
(1R2S)2((67dimethoxy1phenyl34dihydroisoquinolin2(1H)yl)carbonyl)cyclohexanecarboxylicacid
(1R2S)2(67dimethoxy1phenyl1234tetrahydroisoquinoline2carbonyl)cyclohexanecarboxylicacid
16405431
956950075
COc1cc2c(cc1OC)CCN(C2c1ccccc1)C(=O)(C@H)1CCCC(C@H)1C(=O)O
InChI=1SC25H29NO5c130211417121326(24(27)1810671119(18)25(28)29)23(168435916)20(17)1522(21)312h35891415181923H671013H212H3(H2829)t1819+23?m0s1
MFCD05705506
ZINC000004090162
ZINC000004090163
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