Vitas-M small molecule compound

N-benzyl-1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

Catalog ID
STL251739
SMILES O=C(c1c(C)nn(c1C)C1CCS(=O)(=O)C1)NCc1ccccc1

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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 C17H21N3O3S MW 347.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O3S/c1-12-16(17(21)18-10-14-6-4-3-5-7-14)13(2)20(19-12)15-8-9-24(22,23)11-15/h3-7,15H,8-11H2,1-2H3,(H,18,21)
InChIKey
USRCXLONNBWRQN-UHFFFAOYSA-N
Synonyms
1374533-93-3
1374533933
CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)C(=O)NCC3=CC=CC=C3
InChI=1SC17H21N3O3Sc11216(17(21)1810146435714)13(2)20(1912)158924(2223)1115h3715H811H212H3(H1821)
MFCD22202874
Nbenzyl1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazole4carboxamide
Nbenzyl1(11dioxothiolan3yl)35dimethylpyrazole4carboxamide
ZINC000072404273
ZINC000072404274

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Available files

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