Vitas-M small molecule compound

[4-chloro-2-(1H-tetrazol-1-yl)phenyl](4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone

Catalog ID
STL250121
SMILES Clc1ccc(c(c1)n1cnnn1)C(=O)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 C17H20ClN5O2 MW 361.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20ClN5O2/c18-13-4-5-14(15(9-13)23-11-19-20-21-23)16(24)22-8-7-17(25)6-2-1-3-12(17)10-22/h4-5,9,11-12,25H,1-3,6-8,10H2
InChIKey
BNEKRFAESMRGBI-UHFFFAOYSA-N
Synonyms

(4ahydroxy13456788aoctahydroisoquinolin2yl)(4chloro2(tetrazol1yl)phenyl)methanone
(4chloro2(1Htetrazol1yl)phenyl)((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)methanone
(4chloro2(1Htetrazol1yl)phenyl)(4ahydroxyoctahydroisoquinolin2(1H)yl)methanone
C1CCC2(CCN(CC2C1)C(=O)C3=C(C=C(C=C3)Cl)N4C=NN=N4)O
Clc1ccc(c(c1)n1cnnn1)C(=O)N1CC(C@@)2((C@H)(C1)CCCC2)O
InChI=1SC17H20ClN5O2c18134514(15(913)231119202123)16(24)228717(25)621312(17)1022h459111225H136810H2
MFCD24852253
ZINC000072403604
ZINC000080337210

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Available files

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