Vitas-M small molecule compound
4-(2-chloro-6-fluorophenyl)-7-hydroxy-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL314833
SMILES OC1=Nc2n([nH]c(=O)c2C(SC1)c1c(F)cccc1Cl)C(C)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 C15H15ClFN3O2S MW 355.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15ClFN3O2S/c1-7(2)20-14-12(15(22)19-20)13(23-6-10(21)18-14)11-8(16)4-3-5-9(11)17/h3-5,7,13H,6H2,1-2H3,(H,18,21)(H,19,22)InChIKey
BUPISVIWCCANNA-UHFFFAOYSA-NSynonyms
1435905-49-91435905499
4(2chloro6fluorophenyl)1propan2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(2chloro6fluorophenyl)7hydroxy1(propan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)N1C2=C(C(SCC(=O)N2)C3=C(C=CC=C3Cl)F)C(=O)N1
InChI=1SC15H15ClFN3O2Sc17(2)201412(15(22)1920)13(23610(21)1814)118(16)4359(11)17h35713H6H212H3(H1821)(H1922)
MFCD28026900
OC1=Nc2n((nH)c(=O)c2C(SC1)c1c(F)cccc1Cl)C(C)C
ZINC000095476613
ZINC000095476614
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