Vitas-M small molecule compound

2-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline

Catalog ID
STK684130
SMILES [O-][N+](=O)c1cc(F)c(cc1N1CCc2c(C1)cccc2)N1CCCCCC1

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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 C21H24FN3O2 MW 369.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24FN3O2/c22-18-13-21(25(26)27)20(14-19(18)23-10-5-1-2-6-11-23)24-12-9-16-7-3-4-8-17(16)15-24/h3-4,7-8,13-14H,1-2,5-6,9-12,15H2
InChIKey
NOWLIKIMEWXNDK-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc(F)c(cc1N1CCc2c(C1)cccc2)N1CCCCCC1
2(5(azepan1yl)4fluoro2nitrophenyl)1234tetrahydroisoquinoline
2(5(AZEPAN1YL)4FLUORO2NITROPHENYL)34DIHYDRO1HISOQUINOLINE
C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCC4=CC=CC=C4C3)(N+)(=O)(O))F
InChI=1SC21H24FN3O2c22181321(25(26)27)20(1419(18)231051261123)2412916734817(16)1524h34781314H125691215H2
MFCD05259711
ZINC000004624197
ZINC04624197
ZINC4624197

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Available files

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