Vitas-M small molecule compound
1-cycloheptyl-7-hydroxy-4-(2-methoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL319258
SMILES COc1ccccc1C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCCC1)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/c1-26-15-11-7-6-10-14(15)18-17-19(21-16(24)12-27-18)23(22-20(17)25)13-8-4-2-3-5-9-13/h6-7,10-11,13,18H,2-5,8-9,12H2,1H3,(H,21,24)(H,22,25)InChIKey
YSGAYUSNSSWTNW-UHFFFAOYSA-NSynonyms
1435985-08-21435985082
1cycloheptyl4(2methoxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cycloheptyl7hydroxy4(2methoxyphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4
COc1ccccc1C1SCC(=Nc2c1c(=O)(nH)n2C1CCCCCC1)O
InChI=1SC20H25N3O3Sc1261511761014(15)181719(2116(24)122718)23(2220(17)25)1384235913h6710111318H258912H21H3(H2124)(H2225)
MFCD28031766
ZINC000095479942
ZINC000095479943
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