Vitas-M small molecule compound

4-{[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

Catalog ID
STK834577
SMILES CCN(c1cc(Nc2c(C)n(n(c2=O)c2ccccc2)C)c(c2c1non2)[N+](=O)[O-])CC

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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 C21H23N7O4 MW 437.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N7O4/c1-5-26(6-2)16-12-15(20(28(30)31)19-18(16)23-32-24-19)22-17-13(3)25(4)27(21(17)29)14-10-8-7-9-11-14/h7-12,22H,5-6H2,1-4H3
InChIKey
MJJLPZYYONNMDS-UHFFFAOYSA-N
Synonyms
353507-28-5
353507285
4((7(diethylamino)4nitro213benzoxadiazol5yl)amino)15dimethyl2phenyl12dihydro3Hpyrazol3one
4((7(DIETHYLAMINO)4NITRO213BENZOXADIAZOL5YL)AMINO)15DIMETHYL2PHENYLPYRAZOL3ONE
4((7(diethylamino)4nitrobenzo(c)(125)oxadiazol5yl)amino)15dimethyl2phenyl1Hpyrazol3(2H)one
4(7DIETHYLAMINO4NITROBENZO(125)OXADIAZOL5YLAMINO)15DIMETHYL2PHENYL12DIHYDROPYRAZOL3ONE
CCN(c1cc(Nc2c(C)n(n(c2=O)c2ccccc2)C)c(c2c1non2)(N+)(=O)(O))CC
CCN(CC)C1=CC(=C(C2=NON=C12)(N+)(=O)(O))NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C
InChI=1SC21H23N7O4c1526(62)161215(20(28(30)31)1918(16)23322419)221713(3)25(4)27(21(17)29)14108791114h71222H56H214H3
MFCD01944336
ZINC000008444445
ZINC08444445
ZINC8444445

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Available files

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