Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL407958
SMILES COc1cc(cc2c1OCCO2)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)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 C22H27N3O6S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O6S/c1-22(2)10-13(4-5-31-22)25-20-17(21(27)24-25)19(32-11-16(26)23-20)12-8-14(28-3)18-15(9-12)29-6-7-30-18/h8-9,13,19H,4-7,10-11H2,1-3H3,(H,23,26)(H,24,27)InChIKey
UDGZDXHNEJXCPR-UHFFFAOYSA-NSynonyms
1574400-18-21(22dimethyloxan4yl)4(5methoxy23dihydro14benzodioxin7yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(8methoxy23dihydro14benzodioxin6yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574400182
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC5=C(C(=C4)OC)OCCO5)C(=O)N2)C
COc1cc(cc2c1OCCO2)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O
InChI=1SC22H27N3O6Sc122(2)1013(453122)252017(21(27)2425)19(321116(26)2320)12814(283)1815(912)29673018h891319H471011H213H3(H2326)(H2427)
MFCD30704984
ZINC000096223809
ZINC000096223814
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