Vitas-M small molecule compound

2-[(1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-(4-methoxyphenyl)acetamide

Catalog ID
STL548946
SMILES COc1ccc(cc1)NC(=O)CN1CC[C@@]2([C@H]([C@@H]1c1ccc3c(c1)OCO3)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 C25H30N2O5 MW 438.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O5/c1-30-19-8-6-18(7-9-19)26-23(28)15-27-13-12-25(29)11-3-2-4-20(25)24(27)17-5-10-21-22(14-17)32-16-31-21/h5-10,14,20,24,29H,2-4,11-13,15-16H2,1H3,(H,26,28)/t20-,24-,25-/m0/s1
InChIKey
BVNRRQKOVUQHSQ-OPXMRZJTSA-N
Synonyms
957043-05-9
16399745
2((1~(R)4~(a)~(S)8~(a)~(S))1(13benzodioxol5yl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)~(N)(4methoxyphenyl)acetamide
2((1R)1(benzo(d)(13)dioxol5yl)4ahydroxyoctahydroisoquinolin2(1H)yl)N(4methoxyphenyl)acetamide
2((1R4aS8aS)1(13benzodioxol5yl)4ahydroxyoctahydroisoquinolin2(1H)yl)N(4methoxyphenyl)acetamide
957043059
COc1ccc(cc1)NC(=O)CN1CCC2(C((C@@H)1c1ccc3c(c1)OCO3)CCCC2)O
InChI=1SC25H30N2O5c130198618(7919)2623(28)1527131225(29)1132420(25)24(27)175102122(1417)32163121h51014202429H2411131516H21H3(H2628)t202425m0s1
MFCD06764503
ZINC000012860468
ZINC12860468

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Available files

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