Vitas-M small molecule compound
(3-ethoxyphenyl)[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]methanone
Catalog ID
STK175393
SMILES CCOc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)[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 C31H40N4O4 MW 532.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N4O4/c1-3-39-27-6-4-5-25(16-27)30(36)34-11-9-33(10-12-34)26-7-8-29(35(37)38)28(17-26)32-21(2)31-18-22-13-23(19-31)15-24(14-22)20-31/h4-8,16-17,21-24,32H,3,9-15,18-20H2,1-2H3InChIKey
XMGXBUNUMRRHKJ-UHFFFAOYSA-NSynonyms
(3ethoxyphenyl)(4(4nitro3((1(tricyclo(3311~37~)dec1yl)ethyl)amino)phenyl)piperazin1yl)methanone
(4(3(1(1ADAMANTYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(3ETHOXYPHENYL)METHANONE
CCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NC(C)C45CC6CC(C4)CC(C6)C5
CCOc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)(N+)(=O)(O)
InChI=1SC31H40N4O4c13392764525(1627)30(36)3411933(101234)267829(35(37)38)28(1726)3221(2)3118221323(1931)1524(1422)2031h481617212432H39151820H212H3
MFCD05023147
ZINC000009892494
ZINC000009892495
Check stock
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