Vitas-M small molecule compound
7-hydroxy-4-(2-hydroxyquinolin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL409935
SMILES OC1=Nc2c(C(SC1)c1cc3ccccc3nc1O)c(=O)[nH]n2C1CCOCC1
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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 C20H20N4O4S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S/c25-15-10-29-17(13-9-11-3-1-2-4-14(11)21-19(13)26)16-18(22-15)24(23-20(16)27)12-5-7-28-8-6-12/h1-4,9,12,17H,5-8,10H2,(H,21,26)(H,22,25)(H,23,27)InChIKey
FMMSJQISCWRHNH-UHFFFAOYSA-NSynonyms
1574471-91-21(oxan4yl)4(2oxo1Hquinolin3yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1574471912
7hydroxy4(2hydroxyquinolin3yl)1(tetrahydro2Hpyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1COCCC1N2C3=C(C(SCC(=O)N3)C4=CC5=CC=CC=C5NC4=O)C(=O)N2
InChI=1SC20H20N4O4Sc2515102917(13911312414(11)2119(13)26)1618(2215)24(2320(16)27)1257288612h1491217H5810H2(H2126)(H2225)(H2327)
MFCD30705958
OC1=Nc2c(C(SC1)c1cc3ccccc3nc1O)c(=O)(nH)n2C1CCOCC1
ZINC000096116748
ZINC000096116749
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