Vitas-M small molecule compound
4-[3-(difluoromethoxy)phenyl]-7-hydroxy-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL317218
SMILES FC(Oc1cccc(c1)C1SCC(=Nc2c1c(=O)[nH]n2C(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 C16H17F2N3O3S MW 369.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F2N3O3S/c1-8(2)21-14-12(15(23)20-21)13(25-7-11(22)19-14)9-4-3-5-10(6-9)24-16(17)18/h3-6,8,13,16H,7H2,1-2H3,(H,19,22)(H,20,23)InChIKey
WWWPBSGCFVFESN-UHFFFAOYSA-NSynonyms
1435976-52-51435976525
4(3(difluoromethoxy)phenyl)1propan2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(3(difluoromethoxy)phenyl)7hydroxy1(propan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=CC=C3)OC(F)F)C(=O)N1
FC(Oc1cccc(c1)C1SCC(=Nc2c1c(=O)(nH)n2C(C)C)O)F
InChI=1SC16H17F2N3O3Sc18(2)211412(15(23)2021)13(25711(22)1914)943510(69)2416(17)18h3681316H7H212H3(H1922)(H2023)
MFCD28028248
ZINC000095478360
ZINC000095478361
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