Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STL237348
SMILES C=CCOc1ccc(cc1)C1SCC(=O)Nc2c1c(O)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 C22H27N3O4S MW 429.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O4S/c1-4-10-28-16-7-5-14(6-8-16)19-18-20(23-17(26)13-30-19)25(24-21(18)27)15-9-11-29-22(2,3)12-15/h4-8,15,19H,1,9-13H2,2-3H3,(H,23,26)(H,24,27)InChIKey
QODLKGJSYOAAOM-UHFFFAOYSA-NSynonyms
844854-48-41(22DIMETHYLOXAN4YL)4(4PROP2ENOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
1(22dimethyltetrahydro2Hpyran4yl)3hydroxy4(4(prop2en1yloxy)phenyl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
4(4(allyloxy)phenyl)1(22dimethyltetrahydro2Hpyran4yl)3hydroxy68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
844854484
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)OCC=C)C(=O)N2)C
InChI=1SC22H27N3O4Sc141028167514(6816)191820(2317(26)133019)25(2421(18)27)159112922(23)1215h481519H1913H223H3(H2326)(H2427)
MFCD03662760
ZINC000002411319
ZINC000002411322
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