Vitas-M small molecule compound
7-hydroxy-4-(4-hydroxyphenyl)-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL411152
SMILES OC1=Nc2n([nH]c(=O)c2C(SC1)c1ccc(cc1)O)C1CCOCC1
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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/c21-12-3-1-10(2-4-12)15-14-16(18-13(22)9-25-15)20(19-17(14)23)11-5-7-24-8-6-11/h1-4,11,15,21H,5-9H2,(H,18,22)(H,19,23)InChIKey
UBOZERLSOZBEGH-UHFFFAOYSA-NSynonyms
1574362-69-81574362698
4(4hydroxyphenyl)1(oxan4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(4hydroxyphenyl)1(tetrahydro2Hpyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1COCCC1N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)O)C(=O)N2
InChI=1SC17H19N3O4Sc21123110(2412)151416(1813(22)92515)20(1917(14)23)1157248611h14111521H59H2(H1822)(H1923)
MFCD30706563
OC1=Nc2n((nH)c(=O)c2C(SC1)c1ccc(cc1)O)C1CCOCC1
ZINC000096116969
ZINC000096116970
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