Vitas-M small molecule compound
7-hydroxy-4-(3-hydroxyphenyl)-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL411328
SMILES Oc1cccc(c1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOCC1)O
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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 C17H19N3O4S MW 361.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O4S/c21-12-3-1-2-10(8-12)15-14-16(18-13(22)9-25-15)20(19-17(14)23)11-4-6-24-7-5-11/h1-3,8,11,15,21H,4-7,9H2,(H,18,22)(H,19,23)InChIKey
SQFPDPZGCVZJQL-UHFFFAOYSA-NSynonyms
1574365-94-81574365948
4(3hydroxyphenyl)1(oxan4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(3hydroxyphenyl)1(tetrahydro2Hpyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1COCCC1N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)O)C(=O)N2
InChI=1SC17H19N3O4Sc211231210(812)151416(1813(22)92515)20(1917(14)23)1146247511h138111521H479H2(H1822)(H1923)
MFCD30706658
Oc1cccc(c1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCOCC1)O
ZINC000096117301
ZINC000096117302
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