Vitas-M small molecule compound

1-(4-{3-[(furan-2-ylmethyl)amino]-4-nitrophenyl}piperazin-1-yl)-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone

Catalog ID
STK172433
SMILES O=C(N1CCN(CC1)c1ccc(c(c1)NCc1ccco1)[N+](=O)[O-])CC12CC3CC(C2)CC(C1)C3

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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 C27H34N4O4 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O4/c32-26(17-27-14-19-10-20(15-27)12-21(11-19)16-27)30-7-5-29(6-8-30)22-3-4-25(31(33)34)24(13-22)28-18-23-2-1-9-35-23/h1-4,9,13,19-21,28H,5-8,10-12,14-18H2
InChIKey
UVIHDTMXSIKRKU-UHFFFAOYSA-N
Synonyms

1(4(3((furan2ylmethyl)amino)4nitrophenyl)piperazin1yl)2(tricyclo(3311~37~)dec1yl)ethanone
2(1ADAMANTYL)1(4(3(FURAN2YLMETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)ETHANONE
2ADAMANTANYL1(4(3((2FURYLMETHYL)AMINO)4NITROPHENYL)PIPERAZINYL)ETHAN1ONE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CC=CO3)C(=O)CC45CC6CC(C4)CC(C6)C5
InChI=1SC27H34N4O4c3226(172714191020(1527)1221(1119)1627)307529(6830)223425(31(33)34)24(1322)2818232193523h14913192128H5810121418H2
MFCD04220682
O=C(N1CCN(CC1)c1ccc(c(c1)NCc1ccco1)(N+)(=O)(O))CC12CC3CC(C2)CC(C1)C3
ZINC000009892000
ZINC09892000
ZINC9892000

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Available files

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