Vitas-M small molecule compound
4-(4-fluorophenyl)-3-hydroxy-1-(pentan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK780428
SMILES CCCC(n1nc(c2c1NC(=O)CSC2c1ccc(cc1)F)O)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 C17H20FN3O2S MW 349.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20FN3O2S/c1-3-4-10(2)21-16-14(17(23)20-21)15(24-9-13(22)19-16)11-5-7-12(18)8-6-11/h5-8,10,15H,3-4,9H2,1-2H3,(H,19,22)(H,20,23)InChIKey
WWLYDDGGYKJMEK-UHFFFAOYSA-NSynonyms
577987-46-34(4FLUOROPHENYL)1(1METHYLBUTYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
4(4FLUOROPHENYL)1PENTAN2YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(4fluorophenyl)3hydroxy1(pentan2yl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
4(4fluorophenyl)3hydroxy1(pentan2yl)68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)F)C(=O)N1
InChI=1SC17H20FN3O2Sc13410(2)211614(17(23)2021)15(24913(22)1916)115712(18)8611h581015H349H212H3(H1922)(H2023)
MFCD04022183
ZINC000017836167
ZINC000018043380
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