Vitas-M small molecule compound

4-(4-butoxyphenyl)-1-cyclopentyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one

Catalog ID
STL236519
SMILES CCCCOc1ccc(cc1)C1SCC(=O)Nc2c1c(O)nn2C1CCCC1

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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 C21H27N3O3S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S/c1-2-3-12-27-16-10-8-14(9-11-16)19-18-20(22-17(25)13-28-19)24(23-21(18)26)15-6-4-5-7-15/h8-11,15,19H,2-7,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKey
YZXOXKVLWKNFRY-UHFFFAOYSA-N
Synonyms
797799-22-5
4(4butoxyphenyl)1cyclopentyl3hydroxy48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
4(4butoxyphenyl)1cyclopentyl3hydroxy68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
4(4BUTOXYPHENYL)1CYCLOPENTYL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
797799225
CCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4
InChI=1SC21H27N3O3Sc12312271610814(91116)191820(2217(25)132819)24(2321(18)26)15645715h8111519H271213H21H3(H2225)(H2326)
MFCD03668483
ZINC000005825206
ZINC000005825209

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Available files

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