Vitas-M small molecule compound

{4-[4-nitro-3-(tricyclo[3.3.1.1~3,7~]dec-2-ylamino)phenyl]piperazin-1-yl}[4-(propan-2-yl)phenyl]methanone

Catalog ID
STK157798
SMILES [O-][N+](=O)c1ccc(cc1NC1C2CC3CC1CC(C2)C3)N1CCN(CC1)C(=O)c1ccc(cc1)C(C)C

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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 C30H38N4O3 MW 502.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N4O3/c1-19(2)22-3-5-23(6-4-22)30(35)33-11-9-32(10-12-33)26-7-8-28(34(36)37)27(18-26)31-29-24-14-20-13-21(16-24)17-25(29)15-20/h3-8,18-21,24-25,29,31H,9-17H2,1-2H3
InChIKey
AUDBWWMVTRWXQS-UHFFFAOYSA-N
Synonyms
956763-76-1
(4(3((1r3r5r7r)adamantan2ylamino)4nitrophenyl)piperazin1yl)(4isopropylphenyl)methanone
(4(3(2ADAMANTYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(4PROPAN2YLPHENYL)METHANONE
(4(4nitro3(tricyclo(3311~37~)dec2ylamino)phenyl)piperazin1yl)(4(propan2yl)phenyl)methanone
(O)(N+)(=O)c1ccc(cc1NC1C2CC3CC1CC(C2)C3)N1CCN(CC1)C(=O)c1ccc(cc1)C(C)C
956763761
CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NC4C5CC6CC(C5)CC4C6
InChI=1SC30H38N4O3c119(2)223523(6422)30(35)3311932(101233)267828(34(36)37)27(1826)31292414201321(1624)1725(29)1520h38182124252931H917H212H3
MFCD03686442
ZINC000009046225
ZINC09046225
ZINC9046225

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Available files

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