Vitas-M small molecule compound
7-hydroxy-4-(2-oxo-1,2-dihydropyridin-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
STL411324
SMILES OC1=Nc2c(C(SC1)c1ccc[nH]c1=O)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 C16H18N4O4S MW 362.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O4S/c21-11-8-25-13(10-2-1-5-17-15(10)22)12-14(18-11)20(19-16(12)23)9-3-6-24-7-4-9/h1-2,5,9,13H,3-4,6-8H2,(H,17,22)(H,18,21)(H,19,23)InChIKey
RHIXTRQUDHRSIF-UHFFFAOYSA-NSynonyms
1574318-56-11(oxan4yl)4(2oxo1Hpyridin3yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1574318561
7hydroxy4(2oxo12dihydropyridin3yl)1(tetrahydro2Hpyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1COCCC1N2C3=C(C(SCC(=O)N3)C4=CC=CNC4=O)C(=O)N2
InChI=1SC16H18N4O4Sc211182513(102151715(10)22)1214(1811)20(1916(12)23)93624749h125913H3468H2(H1722)(H1821)(H1923)
MFCD30706655
OC1=Nc2c(C(SC1)c1ccc(nH)c1=O)c(=O)(nH)n2C1CCOCC1
ZINC000096117342
ZINC000096117343
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