Vitas-M small molecule compound

5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

Catalog ID
STK212442
SMILES COc1cc(ccc1OC)C1CC(=NN1C(=S)N)c1cccs1

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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 C16H17N3O2S2 MW 347.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O2S2/c1-20-13-6-5-10(8-14(13)21-2)12-9-11(15-4-3-7-23-15)18-19(12)16(17)22/h3-8,12H,9H2,1-2H3,(H2,17,22)
InChIKey
CQFPXNYTONGSTO-UHFFFAOYSA-N
Synonyms
351494-48-9
3(34DIMETHOXYPHENYL)5THIOPHEN2YL34DIHYDROPYRAZOLE2CARBOTHIOAMIDE
351494489
5(34DIMETHOXYPHENYL)3(THIOPHEN2YL)
5(34DIMETHOXYPHENYL)3(THIOPHEN2YL)45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
COC1=C(C=C(C=C1)C2CC(=NN2C(=S)N)C3=CC=CS3)OC
InChI=1SC16H17N3O2S2c120136510(814(13)212)12911(154372315)1819(12)16(17)22h3812H9H212H3(H21722)
MFCD01428381
ZINC000000076449
ZINC000000076452

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Available files

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