Vitas-M small molecule compound
[3-(3-bromo-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl][4-(4-methylbenzyl)piperazin-1-yl]methanone
Catalog ID
STK307055
SMILES Cc1ccc(cc1)CN1CCN(CC1)C(=O)C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)Br
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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 C25H32BrN5O MW 498.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32BrN5O/c1-18-2-4-19(5-3-18)15-29-6-8-30(9-7-29)22(32)24-11-20-10-21(12-24)14-25(13-20,16-24)31-17-27-23(26)28-31/h2-5,17,20-21H,6-16H2,1H3InChIKey
XODWKPVNCFRBRT-UHFFFAOYSA-NSynonyms
828287-57-6(3(3BROMO124TRIAZOL1YL)1ADAMANTYL)(4((4METHYLPHENYL)METHYL)PIPERAZIN1YL)METHANONE
(3(3bromo1H124triazol1yl)tricyclo(3311~37~)dec1yl)(4(4methylbenzyl)piperazin1yl)methanone
3(3BROMO(124TRIAZOLYL))ADAMANTANYL4((4METHYLPHENYL)METHYL)PIPERAZINYLKETONE
828287576
CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)Br
InChI=1SC25H32BrN5Oc1182419(5318)15296830(9729)22(32)2411201021(1224)1425(13201624)31172723(26)2831h25172021H616H21H3
MFCD04052627
ZINC000012447705
ZINC12447705
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