Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(2-ethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione
Catalog ID
STL491509
SMILES CCOc1ccccc1C1SCC(=O)Nc2c1c(=O)[nH]n2C1CCOC(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 C21H27N3O4S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O4S/c1-4-27-15-8-6-5-7-14(15)18-17-19(22-16(25)12-29-18)24(23-20(17)26)13-9-10-28-21(2,3)11-13/h5-8,13,18H,4,9-12H2,1-3H3,(H,22,25)(H,23,26)InChIKey
GLHRZKVTMZEJED-UHFFFAOYSA-NSynonyms
(4R)1((4S)22DIMETHYLTETRAHYDRO2HPYRAN4YL)4(2ETHOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1(22DIMETHYLOXAN4YL)4(2ETHOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
1(22DIMETHYLTETRAHYDRO2HPYRAN4YL)4(2ETHOXYPHENYL)3HYDROXY48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPIN7(6H)ONE
1(22DIMETHYLTETRAHYDRO2HPYRAN4YL)4(2ETHOXYPHENYL)46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
1(22dimethyltetrahydro2Hpyran4yl)4(2ethoxyphenyl)48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
CCOC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCOC(C4)(C)C
CCOc1ccccc1C1SCC(=O)Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C
InChI=1SC21H27N3O4Sc142715865714(15)181719(2216(25)122918)24(2320(17)26)139102821(23)1113h581318H4912H213H3(H2225)(H2326)
MFCD30714557
ZINC000005673290
ZINC000009358509
Check stock
See real-time availability and sample size for STL491509 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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