Vitas-M small molecule compound

2-[4-(2,2-dichlorocyclopropyl)phenoxy]-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one

Catalog ID
STL312956
SMILES O=C(C(Oc1ccc(cc1)C1CC1(Cl)Cl)(C)C)N1CCC2(C(C1)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 C22H29Cl2NO3 MW 426.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29Cl2NO3/c1-20(2,28-17-8-6-15(7-9-17)18-13-22(18,23)24)19(26)25-12-11-21(27)10-4-3-5-16(21)14-25/h6-9,16,18,27H,3-5,10-14H2,1-2H3
InChIKey
UHICJOFSJNVULT-UHFFFAOYSA-N
Synonyms

1(4ahydroxy13456788aoctahydroisoquinolin2yl)2(4(22dichlorocyclopropyl)phenoxy)2methylpropan1one
2(4(22dichlorocyclopropyl)phenoxy)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)2methylpropan1one
2(4(22dichlorocyclopropyl)phenoxy)1(4ahydroxyoctahydroisoquinolin2(1H)yl)2methylpropan1one
CC(C)(C(=O)N1CCC2(CCCCC2C1)O)OC3=CC=C(C=C3)C4CC4(Cl)Cl
InChI=1SC22H29Cl2NO3c120(228178615(7917)181322(1823)24)19(26)25121121(27)1043516(21)1425h69161827H351014H212H3
MFCD28029829
O=C(C(Oc1ccc(cc1)C1CC1(Cl)Cl)(C)C)N1CC(C@@)2((C@H)(C1)CCCC2)O
ZINC000079489154
ZINC000095475160

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Available files

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