Vitas-M small molecule compound
7-hydroxy-4-(2-hydroxy-6-methoxyquinolin-3-yl)-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL407511
SMILES COc1ccc2c(c1)cc(c(n2)O)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 C21H22N4O4S2 MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S2/c1-29-13-2-3-15-11(8-13)9-14(20(27)22-15)18-17-19(23-16(26)10-31-18)25(24-21(17)28)12-4-6-30-7-5-12/h2-3,8-9,12,18H,4-7,10H2,1H3,(H,22,27)(H,23,26)(H,24,28)InChIKey
IPKHHNLTAHLGTK-UHFFFAOYSA-NSynonyms
1574484-19-71574484197
4(6methoxy2oxo1Hquinolin3yl)1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(2hydroxy6methoxyquinolin3yl)1(tetrahydro2Hthiopyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=CC2=C(C=C1)NC(=O)C(=C2)C3C4=C(NC(=O)CS3)N(NC4=O)C5CCSCC5
COc1ccc2c(c1)cc(c(n2)O)C1SCC(=Nc2c1c(=O)(nH)n2C1CCSCC1)O
InChI=1SC21H22N4O4S2c12913231511(813)914(20(27)2215)181719(2316(26)103118)25(2421(17)28)1246307512h23891218H4710H21H3(H2227)(H2326)(H2428)
MFCD30704780
ZINC000096118210
ZINC000096118211
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