Vitas-M small molecule compound

2-chloro-3-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}naphthalene-1,4-dione

Catalog ID
STK172359
SMILES Cc1nn(c(c1)C)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C1=C(Cl)C(=O)c2c(C1=O)cccc2

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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 C25H22ClN5O4 MW 491.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O4/c1-15-13-16(2)30(27-15)21-14-17(7-8-20(21)31(34)35)28-9-11-29(12-10-28)23-22(26)24(32)18-5-3-4-6-19(18)25(23)33/h3-8,13-14H,9-12H2,1-2H3
InChIKey
FMYUUMLZWNYLSD-UHFFFAOYSA-N
Synonyms
956781-24-1
2CHLORO3(4(3(35DIMETHYL1HPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)NAPHTHALENE14DIONE
2CHLORO3(4(3(35DIMETHYLPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)NAPHTHALENE14DIONE
956781241
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl)(N+)(=O)(O))C
Cc1nn(c(c1)C)c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C1=C(Cl)C(=O)c2c(C1=O)cccc2
InChI=1SC25H22ClN5O4c1151316(2)30(2715)211417(7820(21)31(34)35)2891129(121028)2322(26)24(32)18534619(18)25(23)33h381314H912H212H3
MFCD04080691
ZINC000009273945
ZINC09273945
ZINC9273945

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Available files

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