Vitas-M small molecule compound
2-[(1R,4aS,8aS)-4a-hydroxy-1-[4-(prop-2-en-1-yloxy)phenyl]octahydroisoquinolin-2(1H)-yl]acetamide
Catalog ID
STL547937
SMILES C=CCOc1ccc(cc1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)CC(=O)N
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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 C20H28N2O3 MW 344.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O3/c1-2-13-25-16-8-6-15(7-9-16)19-17-5-3-4-10-20(17,24)11-12-22(19)14-18(21)23/h2,6-9,17,19,24H,1,3-5,10-14H2,(H2,21,23)/t17-,19-,20-/m0/s1InChIKey
SPHHOWLSFQWFJE-IHPCNDPISA-NSynonyms
956808-08-52((1~(R)4~(a)~(S)8~(a)~(S))4~(a)hydroxy1(4prop2enoxyphenyl)13456788~(a)octahydroisoquinolin2yl)acetamide
2((1R)1(4(allyloxy)phenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetamide
2((1R4aS8aS)4ahydroxy1(4(prop2en1yloxy)phenyl)octahydroisoquinolin2(1H)yl)acetamide
7088333
956808085
C=CCOc1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)CC(=O)N
InChI=1SC20H28N2O3c121325168615(7916)19175341020(1724)111222(19)1418(21)23h269171924H1351014H2(H22123)t171920m0s1
MFCD06764563
ZINC000004064669
ZINC4064669
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