Vitas-M small molecule compound
[3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl](4-methylpiperazin-1-yl)methanone
Catalog ID
STL170962
SMILES CN1CCN(CC1)C(=O)C12CC3CC(C1)CC(C2)(C3)n1nc(nc1Br)[N+](=O)[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 C18H25BrN6O3 MW 453.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25BrN6O3/c1-22-2-4-23(5-3-22)14(26)17-7-12-6-13(8-17)10-18(9-12,11-17)24-15(19)20-16(21-24)25(27)28/h12-13H,2-11H2,1H3InChIKey
RGULVGMGLOCRSC-UHFFFAOYSA-NSynonyms
362620-83-5(3(5BROMO3NITRO124TRIAZOL1YL)1ADAMANTYL)(4METHYLPIPERAZIN1YL)METHANONE
(3(5bromo3nitro1H124triazol1yl)tricyclo(3311~37~)dec1yl)(4methylpiperazin1yl)methanone
1((3(5BROMO3NITRO1H124TRIAZOL1YL)1ADAMANTYL)CARBONYL)4METHYLPIPERAZINE
362620835
CN1CCN(CC1)C(=O)C12CC3CC(C1)CC(C2)(C3)n1nc(nc1Br)(N+)(=O)(O)
CN1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)(C3)N5C(=NC(=N5)(N+)(=O)(O))Br
InChI=1SC18H25BrN6O3c1222423(5322)14(26)17712613(817)1018(9121117)2415(19)2016(2124)25(27)28h1213H211H21H3
ZINC000017136195
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