Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-(thiophen-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL410763
SMILES OC1=Nc2c(C(SC1)c1cscc1)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 C17H21N3O3S2 MW 379.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O3S2/c1-17(2)7-11(3-5-23-17)20-15-13(16(22)19-20)14(10-4-6-24-8-10)25-9-12(21)18-15/h4,6,8,11,14H,3,5,7,9H2,1-2H3,(H,18,21)(H,19,22)InChIKey
HFAKBNTYHVAVGT-UHFFFAOYSA-NSynonyms
1574410-24-41(22dimethyloxan4yl)4thiophen3yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1(22dimethyltetrahydro2Hpyran4yl)7hydroxy4(thiophen3yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1574410244
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CSC=C4)C(=O)N2)C
InChI=1SC17H21N3O3S2c117(2)711(352317)201513(16(22)1920)14(104624810)25912(21)1815h4681114H3579H212H3(H1821)(H1922)
MFCD30706380
OC1=Nc2c(C(SC1)c1cscc1)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000096117447
ZINC000096117450
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