Vitas-M small molecule compound
7-hydroxy-4-(2-hydroxyquinolin-3-yl)-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL314747
SMILES OC1=Nc2c(C(SC1)c1cc3ccccc3nc1O)c(=O)[nH]n2C(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 C18H18N4O3S MW 370.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O3S/c1-9(2)22-16-14(18(25)21-22)15(26-8-13(23)20-16)11-7-10-5-3-4-6-12(10)19-17(11)24/h3-7,9,15H,8H2,1-2H3,(H,19,24)(H,20,23)(H,21,25)InChIKey
UKSCDUKMOCXICX-UHFFFAOYSA-NSynonyms
1435983-57-51435983575
4(2oxo1Hquinolin3yl)1propan2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(2hydroxyquinolin3yl)1(propan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC4=CC=CC=C4NC3=O)C(=O)N1
InChI=1SC18H18N4O3Sc19(2)221614(18(25)2122)15(26813(23)2016)11710534612(10)1917(11)24h37915H8H212H3(H1924)(H2023)(H2125)
MFCD28026859
OC1=Nc2c(C(SC1)c1cc3ccccc3nc1O)c(=O)(nH)n2C(C)C
ZINC000095476553
ZINC000095476554
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