Vitas-M small molecule compound
2,2-dimethyl-1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]propan-1-one
Catalog ID
STK150448
SMILES O=C(C(C)(C)C)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 C27H40N4O3 MW 468.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40N4O3/c1-18(27-15-19-11-20(16-27)13-21(12-19)17-27)28-23-14-22(5-6-24(23)31(33)34)29-7-9-30(10-8-29)25(32)26(2,3)4/h5-6,14,18-21,28H,7-13,15-17H2,1-4H3InChIKey
IFULWNFXRJFRDE-UHFFFAOYSA-NSynonyms
1(4(3(1(1ADAMANTYL)ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)22DIMETHYLPROPAN1ONE
22dimethyl1(4(4nitro3((1(tricyclo(3311~37~)dec1yl)ethyl)amino)phenyl)piperazin1yl)propan1one
CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)C(=O)C(C)(C)C)(N+)(=O)(O)
InChI=1SC27H40N4O3c118(2715191120(1627)1321(1219)1727)28231422(5624(23)31(33)34)297930(10829)25(32)26(23)4h5614182128H7131517H214H3
MFCD03614890
O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)(N+)(=O)(O)
ZINC000009720491
ZINC000009720492
Check stock
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