Vitas-M small molecule compound
4-[3-(difluoromethoxy)phenyl]-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL411400
SMILES FC(Oc1cccc(c1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)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 C20H23F2N3O4S MW 439.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23F2N3O4S/c1-20(2)9-12(6-7-28-20)25-17-15(18(27)24-25)16(30-10-14(26)23-17)11-4-3-5-13(8-11)29-19(21)22/h3-5,8,12,16,19H,6-7,9-10H2,1-2H3,(H,23,26)(H,24,27)InChIKey
BTSMELNPFURBIT-UHFFFAOYSA-NSynonyms
1574318-36-71574318367
4(3(difluoromethoxy)phenyl)1(22dimethyloxan4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(3(difluoromethoxy)phenyl)1(22dimethyltetrahydro2Hpyran4yl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)OC(F)F)C(=O)N2)C
FC(Oc1cccc(c1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O)F
InChI=1SC20H23F2N3O4Sc120(2)912(672820)251715(18(27)2425)16(301014(26)2317)1143513(811)2919(21)22h358121619H67910H212H3(H2326)(H2427)
MFCD30706693
ZINC000096117869
ZINC000096117872
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