Vitas-M small molecule compound

4-[4-(trifluoromethyl)phenyl]-2,6-dihydro-4H-pyrazolo[3,4-e][1,4]thiazepin-7-ol

Catalog ID
STK656747
SMILES OC1=Nc2n[nH]cc2C(SC1)c1ccc(cc1)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 C13H10F3N3OS MW 313.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10F3N3OS/c14-13(15,16)8-3-1-7(2-4-8)11-9-5-17-19-12(9)18-10(20)6-21-11/h1-5,11H,6H2,(H2,17,18,19,20)
InChIKey
IPGPXGSAKGVSDG-UHFFFAOYSA-N
Synonyms
1171350-70-1
1171350701
4(4(trifluoromethyl)phenyl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
4(4(trifluoromethyl)phenyl)26dihydro4Hpyrazolo(34e)(14)thiazepin7ol
C1C(=O)N=C2C(=CNN2)C(S1)C3=CC=C(C=C3)C(F)(F)F
InChI=1SC13H10F3N3OSc1413(1516)8317(248)1195171912(9)1810(20)62111h1511H6H2(H217181920)
MFCD18167790
OC1=Nc2n(nH)cc2C(SC1)c1ccc(cc1)C(F)(F)F
ZINC000020739456
ZINC000020739459

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Available files

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