Vitas-M small molecule compound
1-cyclohexyl-4-(3,4-difluorophenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL317771
SMILES OC1=Nc2c(C(SC1)c1ccc(c(c1)F)F)c(=O)[nH]n2C1CCCCC1
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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 C18H19F2N3O2S MW 379.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19F2N3O2S/c19-12-7-6-10(8-13(12)20)16-15-17(21-14(24)9-26-16)23(22-18(15)25)11-4-2-1-3-5-11/h6-8,11,16H,1-5,9H2,(H,21,24)(H,22,25)InChIKey
JLECZFIOQCPRIG-UHFFFAOYSA-NSynonyms
1435986-62-11435986621
1cyclohexyl4(34difluorophenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclohexyl4(34difluorophenyl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC(=C(C=C4)F)F)C(=O)N2
InChI=1SC18H19F2N3O2Sc19127610(813(12)20)161517(2114(24)92616)23(2218(15)25)114213511h681116H159H2(H2124)(H2225)
MFCD28030901
OC1=Nc2c(C(SC1)c1ccc(c(c1)F)F)c(=O)(nH)n2C1CCCCC1
ZINC000095478799
ZINC000095478800
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