Vitas-M small molecule compound
7-hydroxy-4-{4-methoxy-3-[(2-methylprop-2-en-1-yl)oxy]phenyl}-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL410287
SMILES COc1ccc(cc1OCC(=C)C)C1SCC(=Nc2c1c(=O)[nH]n2C1CCSCC1)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 C22H27N3O4S2 MW 461.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O4S2/c1-13(2)11-29-17-10-14(4-5-16(17)28-3)20-19-21(23-18(26)12-31-20)25(24-22(19)27)15-6-8-30-9-7-15/h4-5,10,15,20H,1,6-9,11-12H2,2-3H3,(H,23,26)(H,24,27)InChIKey
WGSNFIBQYCQXOI-UHFFFAOYSA-NSynonyms
1574327-52-81574327528
4(4methoxy3(2methylprop2enoxy)phenyl)1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(4methoxy3((2methylprop2en1yl)oxy)phenyl)1(tetrahydro2Hthiopyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(=C)COC1=C(C=CC(=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCSCC4)OC
COc1ccc(cc1OCC(=C)C)C1SCC(=Nc2c1c(=O)(nH)n2C1CCSCC1)O
InChI=1SC22H27N3O4S2c113(2)1129171014(4516(17)283)201921(2318(26)123120)25(2422(19)27)1568309715h45101520H1691112H223H3(H2326)(H2427)
MFCD30706131
ZINC000096117507
ZINC000096117508
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