Vitas-M small molecule compound

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

Catalog ID
STK943232
SMILES OC1=Nc2[nH]nc(c2C(SC1)c1ccc(cc1)C(F)(F)F)C

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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 C14H12F3N3OS MW 327.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12F3N3OS/c1-7-11-12(22-6-10(21)18-13(11)20-19-7)8-2-4-9(5-3-8)14(15,16)17/h2-5,12H,6H2,1H3,(H2,18,19,20,21)
InChIKey
NTXYNGYXJFMAPT-UHFFFAOYSA-N
Synonyms
950299-19-1
3methyl4(4(trifluoromethyl)phenyl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
3methyl4(4(trifluoromethyl)phenyl)46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
950299191
CC1=C2C(SCC(=O)N=C2NN1)C3=CC=C(C=C3)C(F)(F)F
InChI=1SC14H12F3N3OSc171112(22610(21)1813(11)20197)8249(538)14(1516)17h2512H6H21H3(H218192021)
MFCD18180333
OC1=Nc2(nH)nc(c2C(SC1)c1ccc(cc1)C(F)(F)F)C
ZINC000015670658
ZINC000015670659

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Available files

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