Vitas-M small molecule compound

7-(3-bromobenzyl)-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide

Catalog ID
STK363001
SMILES Brc1cccc(c1)CN1CC2(C)CN(CC(C1)(C2)C)C(=S)Nc1ccccc1

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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 C23H28BrN3S MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28BrN3S/c1-22-13-23(2,15-26(14-22)12-18-7-6-8-19(24)11-18)17-27(16-22)21(28)25-20-9-4-3-5-10-20/h3-11H,12-17H2,1-2H3,(H,25,28)
InChIKey
IOFWDHJQDPSCBY-UHFFFAOYSA-N
Synonyms
297762-81-3
(1R5S)7(3bromobenzyl)15dimethylNphenyl37diazabicyclo(331)nonane3carbothioamide
297762813
7((3BROMOPHENYL)METHYL)15DIMETHYLNPHENYL37DIAZABICYCLO(331)NONANE3CARBOTHIOAMIDE
7(3bromobenzyl)15dimethylNphenyl37diazabicyclo(331)nonane3carbothioamide
CC12CC(CN(C1)CC3=CC(=CC=C3)Br)(CN(C2)C(=S)NC4=CC=CC=C4)C
InChI=1SC23H28BrN3Sc1221323(21526(1422)121876819(24)1118)1727(1622)21(28)252094351020h311H1217H212H3(H2528)
MFCD00343794
ZINC000002485226

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Available files

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