Vitas-M small molecule compound
[2-chloro-5-(1H-pyrrol-1-yl)phenyl](4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
Catalog ID
STL421963
SMILES Clc1ccc(cc1C(=O)N1CCC2(C(C1)CCCC2)O)n1cccc1
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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 C20H23ClN2O2 MW 358.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN2O2/c21-18-7-6-16(22-10-3-4-11-22)13-17(18)19(24)23-12-9-20(25)8-2-1-5-15(20)14-23/h3-4,6-7,10-11,13,15,25H,1-2,5,8-9,12,14H2InChIKey
HRJSUPXISLJCIF-UHFFFAOYSA-NSynonyms
(2chloro5(1Hpyrrol1yl)phenyl)((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)methanone
(2chloro5(1Hpyrrol1yl)phenyl)(4ahydroxyoctahydroisoquinolin2(1H)yl)methanone
(4ahydroxy13456788aoctahydroisoquinolin2yl)(2chloro5pyrrol1ylphenyl)methanone
C1CCC2(CCN(CC2C1)C(=O)C3=C(C=CC(=C3)N4C=CC=C4)Cl)O
Clc1ccc(cc1C(=O)N1CC(C@@)2((C@H)(C1)CCCC2)O)n1cccc1
InChI=1SC20H23ClN2O2c21187616(2210341122)1317(18)19(24)2312920(25)821515(20)1423h34671011131525H125891214H2
MFCD30707865
ZINC000218438839
ZINC000252487055
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