Vitas-M small molecule compound

1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(2-hydroxyquinolin-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one

Catalog ID
STL409953
SMILES OC1=Nc2c(C(SC1)c1cc3ccccc3nc1O)c(=O)[nH]n2C1CCOC(C1)(C)C

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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 C22H24N4O4S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S/c1-22(2)10-13(7-8-30-22)26-19-17(21(29)25-26)18(31-11-16(27)24-19)14-9-12-5-3-4-6-15(12)23-20(14)28/h3-6,9,13,18H,7-8,10-11H2,1-2H3,(H,23,28)(H,24,27)(H,25,29)
InChIKey
JVJXDWSPQNNGNE-UHFFFAOYSA-N
Synonyms
1574365-46-0
1(22dimethyloxan4yl)4(2oxo1Hquinolin3yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(2hydroxyquinolin3yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574365460
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC5=CC=CC=C5NC4=O)C(=O)N2)C
InChI=1SC22H24N4O4Sc122(2)1013(783022)261917(21(29)2526)18(311116(27)2419)14912534615(12)2320(14)28h3691318H781011H212H3(H2328)(H2427)(H2529)
MFCD30705969
OC1=Nc2c(C(SC1)c1cc3ccccc3nc1O)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000096117900
ZINC000096117903

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Available files

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