Vitas-M small molecule compound
1-cyclohexyl-4-(4-fluorophenyl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK780433
SMILES O=C1CSC(c2c(N1)n(nc2O)C1CCCCC1)c1ccc(cc1)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 C18H20FN3O2S MW 361.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20FN3O2S/c19-12-8-6-11(7-9-12)16-15-17(20-14(23)10-25-16)22(21-18(15)24)13-4-2-1-3-5-13/h6-9,13,16H,1-5,10H2,(H,20,23)(H,21,24)InChIKey
ZJYQUPOXFJPUHC-UHFFFAOYSA-NSynonyms
1cyclohexyl4(4fluorophenyl)3hydroxy48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
1CYCLOHEXYL4(4FLUOROPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
C1CCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)F)C(=O)N2
InChI=1SC18H20FN3O2Sc19128611(7912)161517(2014(23)102516)22(2118(15)24)134213513h691316H1510H2(H2023)(H2124)
MFCD05860390
ZINC000004717460
ZINC000004717462
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