Vitas-M small molecule compound
1-cyclohexyl-4-(4-ethoxyphenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL046836
SMILES CCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCCC1)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/c1-2-26-15-10-8-13(9-11-15)18-17-19(21-16(24)12-27-18)23(22-20(17)25)14-6-4-3-5-7-14/h8-11,14,18H,2-7,12H2,1H3,(H,21,24)(H,22,25)InChIKey
BLYLYTXULXTEJS-UHFFFAOYSA-NSynonyms
587004-36-21CYCLOHEXYL4(4ETHOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1CYCLOHEXYL4(4ETHOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
1cyclohexyl4(4ethoxyphenyl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
587004362
CCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4
CCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCCC1)O
InChI=1SC20H25N3O3Sc12261510813(91115)181719(2116(24)122718)23(2220(17)25)146435714h8111418H2712H21H3(H2124)(H2225)
MFCD04079131
ZINC000006554347
ZINC000006554361
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