Vitas-M small molecule compound
1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Catalog ID
STK171879
SMILES O=C(N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[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 C29H36N4O3 MW 488.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N4O3/c34-28(19-29-16-22-12-23(17-29)14-24(13-22)18-29)32-10-8-31(9-11-32)25-6-7-27(33(35)36)26(15-25)30-20-21-4-2-1-3-5-21/h1-7,15,22-24,30H,8-14,16-20H2InChIKey
DALWYLFOICMDAL-UHFFFAOYSA-NSynonyms
1(4(3(benzylamino)4nitrophenyl)piperazin1yl)2(tricyclo(3311~37~)dec1yl)ethanone
2(1ADAMANTYL)1(4(3(BENZYLAMINO)4NITROPHENYL)PIPERAZIN1YL)ETHANONE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CC=CC=C3)C(=O)CC45CC6CC(C4)CC(C6)C5
InChI=1SC29H36N4O3c3428(192916221223(1729)1424(1322)1829)3210831(91132)256727(33(35)36)26(1525)3020214213521h1715222430H8141620H2
MFCD04076522
O=C(N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)(N+)(=O)(O))CC12CC3CC(C2)CC(C1)C3
ZINC000009891896
ZINC09891896
ZINC9891896
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