Vitas-M small molecule compound

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

Catalog ID
STL491795
SMILES O=C1CSC(c2c(N1)n([nH]c2=O)C1CCCCCC1)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 C14H18F3N3O2S MW 349.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18F3N3O2S/c15-14(16,17)11-10-12(18-9(21)7-23-11)20(19-13(10)22)8-5-3-1-2-4-6-8/h8,11H,1-7H2,(H,18,21)(H,19,22)
InChIKey
ZQQLHYPQXQVCID-UHFFFAOYSA-N
Synonyms
1401558-51-7
1CYCLOHEPTYL4(TRIFLUOROMETHYL)46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
1cycloheptyl4(trifluoromethyl)48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
1cycloheptyl4(trifluoromethyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
C1CCCC(CC1)N2C3=C(C(SCC(=O)N3)C(F)(F)F)C(=O)N2
InChI=1SC14H18F3N3O2Sc1514(1617)111012(189(21)72311)20(1913(10)22)85312468h811H17H2(H1821)(H1922)
MFCD30714735
O=C1CSC(c2c(N1)n((nH)c2=O)C1CCCCCC1)C(F)(F)F

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Available files

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