Vitas-M small molecule compound

5-methyl-4-(3-methylbutyl)-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-one

Catalog ID
STK629981
SMILES CC(CCc1c(C)[nH]n(c1=O)c1ccc(cc1)C)C

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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 C16H22N2O MW 258.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2O/c1-11(2)5-10-15-13(4)17-18(16(15)19)14-8-6-12(3)7-9-14/h6-9,11,17H,5,10H2,1-4H3
InChIKey
ZOKNNEFMQZGMLR-UHFFFAOYSA-N
Synonyms
925644-96-8
5methyl4(3methylbutyl)2(4methylphenyl)12dihydro3Hpyrazol3one
5methyl4(3methylbutyl)2(4methylphenyl)1Hpyrazol3one
925644968
CC(CCc1c(C)(nH)n(c1=O)c1ccc(cc1)C)C
CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)CCC(C)C
InChI=1SC16H22N2Oc111(2)5101513(4)1718(16(15)19)148612(3)7914h691117H510H214H3
MFCD18159363
ZINC000010157341
ZINC100070138
ZINC10157341

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Available files

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