Vitas-M small molecule compound

[3-(2,4-dimethoxyphenyl)-5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](1-ethyl-4-nitro-1H-pyrazol-3-yl)methanone

Catalog ID
STL392954
SMILES COc1ccc(c(c1)OC)C1=NN(C(C1)c1ccccc1O)C(=O)c1nn(cc1[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 C23H23N5O6 MW 465.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O6/c1-4-26-13-19(28(31)32)22(25-26)23(30)27-18(16-7-5-6-8-20(16)29)12-17(24-27)15-10-9-14(33-2)11-21(15)34-3/h5-11,13,18,29H,4,12H2,1-3H3
InChIKey
MATQYOWSMMPEIR-UHFFFAOYSA-N
Synonyms
512816-07-8
(3(24DIMETHOXYPHENYL)5(2HYDROXYPHENYL)45DIHYDRO1HPYRAZOL1YL)(1ETHYL4NITRO1HPYRAZOL3YL)METHANONE
(5(24DIMETHOXYPHENYL)3(2HYDROXYPHENYL)34DIHYDROPYRAZOL2YL)(1ETHYL4NITROPYRAZOL3YL)METHANONE
2(3(24DIMETHOXYPHENYL)1((1ETHYL4NITRO1HPYRAZOL3YL)CARBONYL)45DIHYDRO1HPYRAZOL5YL)PHENOL
512816078
CCN1C=C(C(=N1)C(=O)N2C(CC(=N2)C3=C(C=C(C=C3)OC)OC)C4=CC=CC=C4O)(N+)(=O)(O)
COc1ccc(c(c1)OC)C1=NN(C(C1)c1ccccc1O)C(=O)c1nn(cc1(N+)(=O)(O))CC
InChI=1SC23H23N5O6c14261319(28(31)32)22(2526)23(30)2718(16756820(16)29)1217(2427)1510914(332)1121(15)343h511131829H412H213H3
MFCD03467338
ZINC000000655361
ZINC000000655362

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Available files

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