Vitas-M small molecule compound
7-hydroxy-4-(pyridin-4-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL410238
SMILES OC1=Nc2c(C(SC1)c1ccncc1)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 C16H18N4O3S MW 346.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3S/c21-12-9-24-14(10-1-5-17-6-2-10)13-15(18-12)20(19-16(13)22)11-3-7-23-8-4-11/h1-2,5-6,11,14H,3-4,7-9H2,(H,18,21)(H,19,22)InChIKey
HPIBRAFLYIDNDL-UHFFFAOYSA-NSynonyms
1574516-25-81(oxan4yl)4pyridin4yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1574516258
7hydroxy4(pyridin4yl)1(tetrahydro2Hpyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1COCCC1N2C3=C(C(SCC(=O)N3)C4=CC=NC=C4)C(=O)N2
InChI=1SC16H18N4O3Sc211292414(1015176210)1315(1812)20(1916(13)22)1137238411h12561114H3479H2(H1821)(H1922)
MFCD30706106
OC1=Nc2c(C(SC1)c1ccncc1)c(=O)(nH)n2C1CCOCC1
ZINC000096117467
ZINC000096117468
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