Vitas-M small molecule compound
7-hydroxy-4-phenyl-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL410820
SMILES OC1=Nc2c(C(SC1)c1ccccc1)c(=O)[nH]n2C1CCSCC1
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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 C17H19N3O2S2 MW 361.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O2S2/c21-13-10-24-15(11-4-2-1-3-5-11)14-16(18-13)20(19-17(14)22)12-6-8-23-9-7-12/h1-5,12,15H,6-10H2,(H,18,21)(H,19,22)InChIKey
KLOAYJIJWGYHSP-UHFFFAOYSA-NSynonyms
1574528-46-31574528463
4phenyl1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4phenyl1(tetrahydro2Hthiopyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CSCCC1N2C3=C(C(SCC(=O)N3)C4=CC=CC=C4)C(=O)N2
InChI=1SC17H19N3O2S2c2113102415(114213511)1416(1813)20(1917(14)22)1268239712h151215H610H2(H1821)(H1922)
MFCD30706405
OC1=Nc2c(C(SC1)c1ccccc1)c(=O)(nH)n2C1CCSCC1
ZINC000096117935
ZINC000096117936
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