Vitas-M small molecule compound

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

Catalog ID
STL493172
SMILES O=C1CSC(c2c(N1)n([nH]c2=O)C(C)C)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 C10H12F3N3O2S MW 295.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H12F3N3O2S/c1-4(2)16-8-6(9(18)15-16)7(10(11,12)13)19-3-5(17)14-8/h4,7H,3H2,1-2H3,(H,14,17)(H,15,18)
InChIKey
DIPZJWNKNDMGMI-UHFFFAOYSA-N
Synonyms
1401574-51-3
1(PROPAN2YL)4(TRIFLUOROMETHYL)46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
1(propan2yl)4(trifluoromethyl)48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
1propan2yl4(trifluoromethyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
CC(C)N1C2=C(C(SCC(=O)N2)C(F)(F)F)C(=O)N1
InChI=1SC10H12F3N3O2Sc14(2)1686(9(18)1516)7(10(1112)13)1935(17)148h47H3H212H3(H1417)(H1518)
MFCD30715612
O=C1CSC(c2c(N1)n((nH)c2=O)C(C)C)C(F)(F)F

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Available files

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