Vitas-M small molecule compound

piperazine-1,4-diylbis[(1-oxoethane-2,1-diyl)(1Z)hydrazin-2-yl-1-ylidene(Z)methylylidenebenzene-4,1-diyl] bis(4-nitrobenzenesulfonate)

Catalog ID
STK670302
SMILES O=C(CN1CCN(CC1)CC(=O)N/N=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])N/N=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)[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 C34H32N8O12S2 MW 808.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N8O12S2/c43-33(37-35-21-25-1-9-29(10-2-25)53-55(49,50)31-13-5-27(6-14-31)41(45)46)23-39-17-19-40(20-18-39)24-34(44)38-36-22-26-3-11-30(12-4-26)54-56(51,52)32-15-7-28(8-16-32)42(47)48/h1-16,21-22H,17-20,23-24H2,(H,37,43)(H,38,44)/b35-21-,36-
InChIKey
LTWHQFPLYNAFTH-XEMPJQOTSA-N
Synonyms

(4((Z)((2(4(2((2Z)2((4(4NITROPHENYL)SULFONYLOXYPHENYL)METHYLIDENE)HYDRAZINYL)2OXOETHYL)PIPERAZIN1YL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYL)4NITROBENZENESULFONATE
4((1Z)2(2(4((N((1Z)2(4((4NITROPHENYL)SULFONYLOXY)PHENYL)1AZAVINYL)CARBAMOYL)METHYL)PIPERAZINYL)ACETYLAMINO)2AZAVINYL)PHENYL4NITROBENZENESULFONATE
C1CN(CCN1CC(=O)NN=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)(N+)(=O)(O))CC(=O)NN=CC4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC34H32N8O12S2c4333(373521251929(10225)5355(4950)3113527(61431)41(45)46)2339171940(201839)2434(44)3836222631130(12426)5456(5152)3215728(81632)42(47)48h1162122H17202324H2(H3743)(H3844)b35213622
MFCD00302436
O=C(CN1CCN(CC1)CC(=O)NN=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)(N+)(=O)(O))NN=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)(N+)(=O)(O)
piperazine14diylbis((1oxoethane21diyl)(1Z)hydrazin2yl1ylidene(Z)methylylidenebenzene41diyl)bis(4nitrobenzenesulfonate)
ZINC000169683642
ZINC195829471

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Available files

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