Vitas-M small molecule compound
4-{3-[(4-fluorobenzyl)oxy]-4-methoxyphenyl}-2,6-dihydro-4H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK646430
SMILES COc1ccc(cc1OCc1ccc(cc1)F)C1SCC(=Nc2c1c[nH]n2)O
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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 C20H18FN3O3S MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN3O3S/c1-26-16-7-4-13(8-17(16)27-10-12-2-5-14(21)6-3-12)19-15-9-22-24-20(15)23-18(25)11-28-19/h2-9,19H,10-11H2,1H3,(H2,22,23,24,25)InChIKey
SWUSYDCSAFGXOL-UHFFFAOYSA-NSynonyms
1173039-22-91173039229
4(3((4fluorobenzyl)oxy)4methoxyphenyl)26dihydro4Hpyrazolo(34e)(14)thiazepin7ol
4(3((4fluorophenyl)methoxy)4methoxyphenyl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
COC1=C(C=C(C=C1)C2C3=CNNC3=NC(=O)CS2)OCC4=CC=C(C=C4)F
COc1ccc(cc1OCc1ccc(cc1)F)C1SCC(=Nc2c1c(nH)n2)O
InChI=1SC20H18FN3O3Sc126167413(817(16)2710122514(21)6312)19159222420(15)2318(25)112819h2919H1011H21H3(H222232425)
MFCD18164247
ZINC000020739386
ZINC000020739389
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