Vitas-M small molecule compound
4-[3-(trifluoromethyl)phenyl]-2,6-dihydro-4H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK634540
SMILES OC1=Nc2n[nH]cc2C(SC1)c1cccc(c1)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)8-3-1-2-7(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
KTUBNADSJKRVLT-UHFFFAOYSA-NSynonyms
1171913-84-01171913840
4(3(trifluoromethyl)phenyl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
4(3(trifluoromethyl)phenyl)26dihydro4Hpyrazolo(34e)(14)thiazepin7ol
C1C(=O)N=C2C(=CNN2)C(S1)C3=CC(=CC=C3)C(F)(F)F
InChI=1SC13H10F3N3OSc1413(1516)83127(48)1195171912(9)1810(20)62111h1511H6H2(H217181920)
MFCD18160421
OC1=Nc2n(nH)cc2C(SC1)c1cccc(c1)C(F)(F)F
ZINC000020715421
ZINC000020715423
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