Vitas-M small molecule compound
3-chloro-1-[5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]propan-1-one
Catalog ID
STL232913
SMILES ClCCC(=O)N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1ccccc1
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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 C18H16ClN3O3 MW 357.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O3/c19-10-9-18(23)21-17(14-7-4-8-15(11-14)22(24)25)12-16(20-21)13-5-2-1-3-6-13/h1-8,11,17H,9-10,12H2InChIKey
PWIPDJIQKNQUSA-UHFFFAOYSA-NSynonyms
384352-63-01(3CHLOROPROPANOYL)5(3NITROPHENYL)3PHENYL45DIHYDRO1HPYRAZOLE
384352630
3CHLORO1(3(3NITROPHENYL)5PHENYL34DIHYDROPYRAZOL2YL)PROPAN1ONE
3chloro1(5(3nitrophenyl)3phenyl45dihydro1Hpyrazol1yl)propan1one
C1C(N(N=C1C2=CC=CC=C2)C(=O)CCCl)C3=CC(=CC=C3)(N+)(=O)(O)
ClCCC(=O)N1N=C(CC1c1cccc(c1)(N+)(=O)(O))c1ccccc1
InChI=1SC18H16ClN3O3c1910918(23)2117(1474815(1114)22(24)25)1216(2021)135213613h181117H91012H2
MFCD03285316
ZINC000004897592
ZINC000004897597
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