Vitas-M small molecule compound
4-(4-butoxyphenyl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK855005
SMILES CCCCOc1ccc(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 C23H31N3O4S MW 445.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O4S/c1-4-5-11-29-17-8-6-15(7-9-17)20-19-21(24-18(27)14-31-20)26(25-22(19)28)16-10-12-30-23(2,3)13-16/h6-9,16,20H,4-5,10-14H2,1-3H3,(H,24,27)(H,25,28)InChIKey
DCUTXYJFDIFGER-UHFFFAOYSA-NSynonyms
797765-28-74(4BUTOXYPHENYL)1(22DIMETHYLOXAN4YL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(4butoxyphenyl)1(22dimethyltetrahydro2Hpyran4yl)3hydroxy48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
4(4butoxyphenyl)1(22dimethyltetrahydro2Hpyran4yl)3hydroxy68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
797765287
CCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCOC(C4)(C)C
InChI=1SC23H31N3O4Sc1451129178615(7917)201921(2418(27)143120)26(2522(19)28)1610123023(23)1316h691620H451014H213H3(H2427)(H2528)
MFCD03664683
ZINC000002369915
ZINC000002369918
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