Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(2-hydroxy-7-methoxyquinolin-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL410480
SMILES COc1ccc2c(c1)nc(c(c2)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)O)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 C23H26N4O5S MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O5S/c1-23(2)10-13(6-7-32-23)27-20-18(22(30)26-27)19(33-11-17(28)25-20)15-8-12-4-5-14(31-3)9-16(12)24-21(15)29/h4-5,8-9,13,19H,6-7,10-11H2,1-3H3,(H,24,29)(H,25,28)(H,26,30)InChIKey
YOCXYVVSINXPIX-UHFFFAOYSA-NSynonyms
1574294-06-61(22dimethyloxan4yl)4(7methoxy2oxo1Hquinolin3yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(2hydroxy7methoxyquinolin3yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574294066
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC5=C(C=C(C=C5)OC)NC4=O)C(=O)N2)C
COc1ccc2c(c1)nc(c(c2)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOC(C1)(C)C)O)O
InChI=1SC23H26N4O5Sc123(2)1013(673223)272018(22(30)2627)19(331117(28)2520)158124514(313)916(12)2421(15)29h45891319H671011H213H3(H2429)(H2528)(H2630)
MFCD30706225
ZINC000096230720
ZINC000096230723
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