Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(2-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK780440
SMILES COc1ccccc1C1SCC(=O)Nc2c1c(C)nn2C1CCOC(C1)(C)C
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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/c1-13-18-19(15-7-5-6-8-16(15)26-4)28-12-17(25)22-20(18)24(23-13)14-9-10-27-21(2,3)11-14/h5-8,14,19H,9-12H2,1-4H3,(H,22,25)InChIKey
JAWPKPZCABBJFI-UHFFFAOYSA-NSynonyms
714918-88-41(22dimethyltetrahydro2Hpyran4yl)4(2methoxyphenyl)3methyl48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
1(22dimethyltetrahydro2Hpyran4yl)4(2methoxyphenyl)3methyl68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
MFCD05682140
ZINC000004717484
ZINC000004717487
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