Vitas-M small molecule compound
7-hydroxy-1-(tetrahydro-2H-pyran-4-yl)-4-(3,4,5-trifluorophenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL410100
SMILES OC1=Nc2n([nH]c(=O)c2C(SC1)c1cc(F)c(c(c1)F)F)C1CCOCC1
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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 C17H16F3N3O3S MW 399.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F3N3O3S/c18-10-5-8(6-11(19)14(10)20)15-13-16(21-12(24)7-27-15)23(22-17(13)25)9-1-3-26-4-2-9/h5-6,9,15H,1-4,7H2,(H,21,24)(H,22,25)InChIKey
WNYBQBSLLJKZPQ-UHFFFAOYSA-NSynonyms
1574404-16-21(oxan4yl)4(345trifluorophenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1574404162
7hydroxy1(tetrahydro2Hpyran4yl)4(345trifluorophenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1COCCC1N2C3=C(C(SCC(=O)N3)C4=CC(=C(C(=C4)F)F)F)C(=O)N2
InChI=1SC17H16F3N3O3Sc181058(611(19)14(10)20)151316(2112(24)72715)23(2217(13)25)91326429h56915H147H2(H2124)(H2225)
MFCD30706036
OC1=Nc2n((nH)c(=O)c2C(SC1)c1cc(F)c(c(c1)F)F)C1CCOCC1
ZINC000096116895
ZINC000096116896
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