Vitas-M small molecule compound

1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(4-fluorophenyl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol

Catalog ID
STL245049
SMILES Fc1ccc(cc1)C1SCC(=Nc2c1c(C)nn2C1CCS(=O)(=O)C1)O

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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 C17H18FN3O3S2 MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18FN3O3S2/c1-10-15-16(11-2-4-12(18)5-3-11)25-8-14(22)19-17(15)21(20-10)13-6-7-26(23,24)9-13/h2-5,13,16H,6-9H2,1H3,(H,19,22)
InChIKey
ROQHWKZJPMLIDO-UHFFFAOYSA-N
Synonyms
1401592-16-2
1(11dioxidotetrahydrothiophen3yl)4(4fluorophenyl)3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
1401592162
MFCD24860131
ZINC000079474175
ZINC000079474190

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Available files

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