Vitas-M small molecule compound

5-methyl-4-[(2-nitrophenyl)sulfanyl]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK279932
SMILES CC1=NN(C(=O)C1Sc1ccccc1[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 C16H13N3O3S MW 327.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O3S/c1-11-15(23-14-10-6-5-9-13(14)19(21)22)16(20)18(17-11)12-7-3-2-4-8-12/h2-10,15H,1H3
InChIKey
FMUNRBGNDIUVJJ-UHFFFAOYSA-N
Synonyms
7673-55-4
3METHYL4(2NITROPHENYLTHIO)1PHENYL2PYRAZOLIN5ONE
5methyl4((2nitrophenyl)sulfanyl)2phenyl24dihydro3Hpyrazol3one
5METHYL4(2NITROPHENYL)SULFANYL2PHENYL4HPYRAZOL3ONE
5METHYL4(2NITROPHENYLSULFANYL)2PHENYL24DIHYDROPYRAZOL3ONE
7673554
CC1=NN(C(=O)C1Sc1ccccc1(N+)(=O)(O))c1ccccc1
CC1=NN(C(=O)C1SC2=CC=CC=C2(N+)(=O)(O))C3=CC=CC=C3
InChI=1SC16H13N3O3Sc11115(23141065913(14)19(21)22)16(20)18(1711)127324812h21015H1H3
MFCD00397391
ZINC000018149181
ZINC000100563686

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Available files

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