Vitas-M small molecule compound
1-cyclooctyl-7-hydroxy-4-(3-hydroxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL314344
SMILES Oc1cccc(c1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCCCC1)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 C20H25N3O3S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S/c24-15-10-6-7-13(11-15)18-17-19(21-16(25)12-27-18)23(22-20(17)26)14-8-4-2-1-3-5-9-14/h6-7,10-11,14,18,24H,1-5,8-9,12H2,(H,21,25)(H,22,26)InChIKey
VAAZGZCKLZSIDI-UHFFFAOYSA-NSynonyms
1435979-74-01435979740
1cyclooctyl4(3hydroxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclooctyl7hydroxy4(3hydroxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CCCC(CCC1)N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)O)C(=O)N2
InChI=1SC20H25N3O3Sc2415106713(1115)181719(2116(25)122718)23(2220(17)26)14842135914h671011141824H158912H2(H2125)(H2226)
MFCD28030642
Oc1cccc(c1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCCCCC1)O
ZINC000095476243
ZINC000095476244
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