Vitas-M small molecule compound
(2-bromophenyl)[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]methanone
Catalog ID
STK092700
SMILES CC(C12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccccc1Br
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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 C29H35BrN4O3 MW 567.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35BrN4O3/c1-19(29-16-20-12-21(17-29)14-22(13-20)18-29)31-26-15-23(6-7-27(26)34(36)37)32-8-10-33(11-9-32)28(35)24-4-2-3-5-25(24)30/h2-7,15,19-22,31H,8-14,16-18H2,1H3InChIKey
ZQHCNAHTYQMQTP-UHFFFAOYSA-NSynonyms
(2bromophenyl)(4(4nitro3((1(tricyclo(3311~37~)dec1yl)ethyl)amino)phenyl)piperazin1yl)methanone
(4(3(1(1ADAMANTYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(2BROMOPHENYL)METHANONE
CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)C(=O)C6=CC=CC=C6Br)(N+)(=O)(O)
CC(C12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccccc1Br
InChI=1SC29H35BrN4O3c119(2916201221(1729)1422(1320)1829)31261523(6727(26)34(36)37)3281033(11932)28(35)24423525(24)30h2715192231H8141618H21H3
MFCD03227215
STK092700
ZINC000100136176
ZINC000100136178
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