Vitas-M small molecule compound
4-[4-(cyclopentyloxy)-3-methoxyphenyl]-2,6-dihydro-4H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK659870
SMILES COc1cc(ccc1OC1CCCC1)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 C18H21N3O3S MW 359.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O3S/c1-23-15-8-11(6-7-14(15)24-12-4-2-3-5-12)17-13-9-19-21-18(13)20-16(22)10-25-17/h6-9,12,17H,2-5,10H2,1H3,(H2,19,20,21,22)InChIKey
XSQLQJGQWQHFOH-UHFFFAOYSA-NSynonyms
1171439-53-41171439534
4(4(cyclopentyloxy)3methoxyphenyl)26dihydro4Hpyrazolo(34e)(14)thiazepin7ol
4(4cyclopentyloxy3methoxyphenyl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
COC1=C(C=CC(=C1)C2C3=CNNC3=NC(=O)CS2)OC4CCCC4
COc1cc(ccc1OC1CCCC1)C1SCC(=Nc2c1c(nH)n2)O
InChI=1SC18H21N3O3Sc12315811(6714(15)2412423512)17139192118(13)2016(22)102517h691217H2510H21H3(H219202122)
MFCD18168873
ZINC000020739046
ZINC000020739050
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