Vitas-M small molecule compound

4-(4-methylphenyl)-1,3-diphenyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol

Catalog ID
STK558865
SMILES OC1=Nc2c(C(SC1)c1ccc(cc1)C)c(nn2c1ccccc1)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 C25H21N3OS MW 411.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3OS/c1-17-12-14-19(15-13-17)24-22-23(18-8-4-2-5-9-18)27-28(20-10-6-3-7-11-20)25(22)26-21(29)16-30-24/h2-15,24H,16H2,1H3,(H,26,29)
InChIKey
LJYHZBQIZFBFDE-UHFFFAOYSA-N
Synonyms
585553-59-9
4(4methylphenyl)13diphenyl46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
585553599
MFCD04079850
ZINC000002393346
ZINC000002393347

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Available files

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