Vitas-M small molecule compound
3-bromo-N-(6-{[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl]sulfanyl}pyridin-3-yl)benzamide
Catalog ID
STL543357
SMILES Brc1cccc(c1)C(=O)Nc1ccc(nc1)SC[C@@H]1CCCN2[C@@H]1CCCC2
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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 C22H26BrN3OS MW 460.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26BrN3OS/c23-18-7-3-5-16(13-18)22(27)25-19-9-10-21(24-14-19)28-15-17-6-4-12-26-11-2-1-8-20(17)26/h3,5,7,9-10,13-14,17,20H,1-2,4,6,8,11-12,15H2,(H,25,27)/t17-,20+/m0/s1InChIKey
NTURTFMAEAAXJK-FXAWDEMLSA-NSynonyms
~(N)(6(((1~(R)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methylsulfanyl)pyridin3yl)3bromobenzamide
100004311
3BROMON(6((((1R9AR)OCTAHYDRO1HQUINOLIZIN1YL)METHYL)THIO)PYRIDIN3YL)BENZAMIDE
3bromoN(6(((1R9aR)octahydro2Hquinolizin1ylmethyl)sulfanyl)pyridin3yl)benzamide
Brc1cccc(c1)C(=O)Nc1ccc(nc1)SC(C@@H)1CCCN2(C@@H)1CCCC2
InChI=1SC22H26BrN3OSc231873516(1318)22(27)251991021(241419)2815176412261121820(17)26h35791013141720H12468111215H2(H2527)t1720+m0s1
ZINC000218108422
ZINC218108422
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