Vitas-M small molecule compound

(4Z)-5-methyl-4-[(3-methylthiophen-2-yl)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK000761
SMILES CC1=NN(C(=O)/C/1=C\c1sccc1C)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 C16H14N2OS MW 282.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2OS/c1-11-8-9-20-15(11)10-14-12(2)17-18(16(14)19)13-6-4-3-5-7-13/h3-10H,1-2H3/b14-10-
InChIKey
XXTJSVNFZJOVEY-UVTDQMKNSA-N
Synonyms
342379-70-8
(4Z)5METHYL4((3METHYLTHIOPHEN2YL)METHYLIDENE)2PHENYL24DIHYDRO3HPYRAZOL3ONE
(4Z)5METHYL4((3METHYLTHIOPHEN2YL)METHYLIDENE)2PHENYLPYRAZOL3ONE
(Z)3methyl4((3methylthiophen2yl)methylene)1phenyl1Hpyrazol5(4H)one
342379708
5METHYL4((3METHYL2THIENYL)METHYLENE)2PHENYL24DIHYDRO3HPYRAZOL3ONE
5METHYL4(1(3METHYLTHIOPHEN2YL)METH(Z)YLIDENE)2PHENYL24DIHYDROPYRAZOL3ONE
CC1=C(SC=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C
CC1=NN(C(=O)C1=Cc1sccc1C)c1ccccc1
InChI=1SC16H14N2OSc111892015(11)101412(2)1718(16(14)19)136435713h310H12H3b1410
MFCD01856054
STK000761
ZINC000013114039
ZINC13114039

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.