Vitas-M small molecule compound

2-[(1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-propylacetamide

Catalog ID
STK598930
SMILES CCCNC(=O)CN1CC[C@@]2([C@H]([C@@H]1c1ccc(c(c1)OCC)O)CCCC2)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 C22H34N2O4 MW 390.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H34N2O4/c1-3-12-23-20(26)15-24-13-11-22(27)10-6-5-7-17(22)21(24)16-8-9-18(25)19(14-16)28-4-2/h8-9,14,17,21,25,27H,3-7,10-13,15H2,1-2H3,(H,23,26)/t17-,21-,22-/m0/s1
InChIKey
GETKVGPNVCQZJN-HSQYWUDLSA-N
Synonyms
1212450-57-1
1212450571
2((1R4aS8aS)1(3ethoxy4hydroxyphenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)Npropylacetamide
2((1R4aS8aS)1(3ethoxy4hydroxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)Npropylacetamide
CCCNC(=O)CN1CC(C@@)2((C@H)((C@@H)1c1ccc(c(c1)OCC)O)CCCC2)O
CCCNC(=O)CN1CCC2(CCCCC2C1C3=CC(=C(C=C3)O)OCC)O
InChI=1SC22H34N2O4c13122320(26)1524131122(27)1065717(22)21(24)168918(25)19(1416)2842h891417212527H37101315H212H3(H2326)t172122m0s1
MFCD18246103
ZINC000005577703
ZINC5577703

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Available files

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