Vitas-M small molecule compound

4-[3-(difluoromethoxy)phenyl]-7-hydroxy-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one

Catalog ID
STL407892
SMILES FC(Oc1cccc(c1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOCC1)O)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 C18H19F2N3O4S MW 411.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19F2N3O4S/c19-18(20)27-12-3-1-2-10(8-12)15-14-16(21-13(24)9-28-15)23(22-17(14)25)11-4-6-26-7-5-11/h1-3,8,11,15,18H,4-7,9H2,(H,21,24)(H,22,25)
InChIKey
FLEWXXYYKXMHPV-UHFFFAOYSA-N
Synonyms
1574481-77-8
1574481778
4(3(difluoromethoxy)phenyl)1(oxan4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(3(difluoromethoxy)phenyl)7hydroxy1(tetrahydro2Hpyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1COCCC1N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)OC(F)F)C(=O)N2
FC(Oc1cccc(c1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOCC1)O)F
InChI=1SC18H19F2N3O4Sc1918(20)271231210(812)151416(2113(24)92815)23(2217(14)25)1146267511h138111518H479H2(H2124)(H2225)
MFCD30704955
ZINC000096117047
ZINC000096117048

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Available files

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