Vitas-M small molecule compound

1-cyclooctyl-4-(trifluoromethyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione

Catalog ID
STL494379
SMILES O=C1CSC(c2c(N1)n([nH]c2=O)C1CCCCCCC1)C(F)(F)F

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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 C15H20F3N3O2S MW 363.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20F3N3O2S/c16-15(17,18)12-11-13(19-10(22)8-24-12)21(20-14(11)23)9-6-4-2-1-3-5-7-9/h9,12H,1-8H2,(H,19,22)(H,20,23)
InChIKey
ZIMXYZUTBBTAMC-UHFFFAOYSA-N
Synonyms
1401597-00-9
1401597009
1CYCLOOCTYL4(TRIFLUOROMETHYL)46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
1cyclooctyl4(trifluoromethyl)48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
1cyclooctyl4(trifluoromethyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
C1CCCC(CCC1)N2C3=C(C(SCC(=O)N3)C(F)(F)F)C(=O)N2
InChI=1SC15H20F3N3O2Sc1615(1718)121113(1910(22)82412)21(2014(11)23)964213579h912H18H2(H1922)(H2023)
MFCD30716368
O=C1CSC(c2c(N1)n((nH)c2=O)C1CCCCCCC1)C(F)(F)F

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Available files

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