Vitas-M small molecule compound

2-(4-{3-[(2Z)-2-(1-azabicyclo[2.2.2]oct-3-ylidene)hydrazinyl]-4-nitrophenyl}piperazin-1-yl)ethanol

Catalog ID
STK098696
SMILES OCCN1CCN(CC1)c1ccc(c(c1)N/N=C/1\CN2CCC1CC2)[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 C19H28N6O3 MW 388.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28N6O3/c26-12-11-22-7-9-24(10-8-22)16-1-2-19(25(27)28)17(13-16)20-21-18-14-23-5-3-15(18)4-6-23/h1-2,13,15,20,26H,3-12,14H2/b21-18+
InChIKey
CLTLMDNFZLYZRT-DYTRJAOYSA-N
Synonyms

2(4(3((2Z)2(1AZABICYCLO(222)OCT3YLIDENE)HYDRAZINYL)4NITROPHENYL)PIPERAZIN1YL)ETHANOL
2(4(3((2Z)2(1AZABICYCLO(222)OCTAN3YLIDENE)HYDRAZINYL)4NITROPHENYL)PIPERAZIN1YL)ETHANOL
2(4(4NITRO3((QUINUCLIDIN3YLIDENEAZAMETHYL)AMINO)PHENYL)PIPERAZINYL)ETHAN1OL
C1CN2CCC1C(=NNC3=C(C=CC(=C3)N4CCN(CC4)CCO)(N+)(=O)(O))C2
InChI=1SC19H28N6O3c261211227924(10822)161219(25(27)28)17(1316)20211814235315(18)4623h1213152026H31214H2b2118+
MFCD00642679
OCCN1CCN(CC1)c1ccc(c(c1)NN=C1CN2CCC1CC2)(N+)(=O)(O)
STK098696
ZINC000004663726
ZINC4357373

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.