Vitas-M small molecule compound

4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]benzamide

Catalog ID
STK311569
SMILES Fc1cccc(c1)Cn1ccc(n1)NC(=O)c1ccc(cc1)Cn1cc(c(n1)[N+](=O)[O-])Cl

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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 C21H16ClFN6O3 MW 454.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClFN6O3/c22-18-13-28(26-20(18)29(31)32)11-14-4-6-16(7-5-14)21(30)24-19-8-9-27(25-19)12-15-2-1-3-17(23)10-15/h1-10,13H,11-12H2,(H,24,25,30)
InChIKey
OSZYBOLLNMQSBK-UHFFFAOYSA-N
Synonyms
1005689-45-1
1005689451
4((4chloro3nitro1Hpyrazol1yl)methyl)N(1(3fluorobenzyl)1Hpyrazol3yl)benzamide
4((4chloro3nitropyrazol1yl)methyl)N(1((3fluorophenyl)methyl)pyrazol3yl)benzamide
C1=CC(=CC(=C1)F)CN2C=CC(=N2)NC(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)(N+)(=O)(O))Cl
Fc1cccc(c1)Cn1ccc(n1)NC(=O)c1ccc(cc1)Cn1cc(c(n1)(N+)(=O)(O))Cl
InChI=1SC21H16ClFN6O3c22181328(2620(18)29(31)32)11144616(7514)21(30)24198927(2519)121521317(23)1015h11013H1112H2(H242530)
MFCD04138240
ZINC000002809733
ZINC02809733
ZINC2809733

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Available files

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