Vitas-M small molecule compound

[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl](1-ethyl-4-nitro-1H-pyrazol-3-yl)methanone

Catalog ID
STK305168
SMILES CCn1cc(c(n1)C(=O)N1N=C(CC1c1ccccc1O)c1ccc2c(c1)OCCO2)[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 C23H21N5O6 MW 463.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O6/c1-2-26-13-18(28(31)32)22(25-26)23(30)27-17(15-5-3-4-6-19(15)29)12-16(24-27)14-7-8-20-21(11-14)34-10-9-33-20/h3-8,11,13,17,29H,2,9-10,12H2,1H3
InChIKey
BUZJSACZLMNPKA-UHFFFAOYSA-N
Synonyms
1005582-84-2
(3(23dihydro14benzodioxin6yl)5(2hydroxyphenyl)45dihydro1Hpyrazol1yl)(1ethyl4nitro1Hpyrazol3yl)methanone
(5(23DIHYDRO14BENZODIOXIN6YL)3(2HYDROXYPHENYL)34DIHYDROPYRAZOL2YL)(1ETHYL4NITROPYRAZOL3YL)METHANONE
1005582842
CCN1C=C(C(=N1)C(=O)N2C(CC(=N2)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5O)(N+)(=O)(O)
CCn1cc(c(n1)C(=O)N1N=C(CC1c1ccccc1O)c1ccc2c(c1)OCCO2)(N+)(=O)(O)
InChI=1SC23H21N5O6c12261318(28(31)32)22(2526)23(30)2717(15534619(15)29)1216(2427)14782021(1114)341093320h3811131729H291012H21H3
MFCD04049959
ZINC000013959452
ZINC000013959453

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Available files

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