Vitas-M small molecule compound
1-cyclooctyl-7-hydroxy-4-(2-methoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL314848
SMILES COc1ccccc1C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCCCC1)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 C21H27N3O3S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S/c1-27-16-12-8-7-11-15(16)19-18-20(22-17(25)13-28-19)24(23-21(18)26)14-9-5-3-2-4-6-10-14/h7-8,11-12,14,19H,2-6,9-10,13H2,1H3,(H,22,25)(H,23,26)InChIKey
PHNNAKXQUKHEMU-UHFFFAOYSA-NSynonyms
1435980-36-11435980361
1cyclooctyl4(2methoxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclooctyl7hydroxy4(2methoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCCC4
COc1ccccc1C1SCC(=Nc2c1c(=O)(nH)n2C1CCCCCCC1)O
InChI=1SC21H27N3O3Sc1271612871115(16)191820(2217(25)132819)24(2321(18)26)149532461014h7811121419H2691013H21H3(H2225)(H2326)
MFCD28026908
ZINC000095476622
ZINC000095476623
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