Vitas-M small molecule compound
1-cyclohexyl-4-(2-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione
Catalog ID
STL492988
SMILES CCCOc1ccccc1C1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCCC1
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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/c1-2-12-27-16-11-7-6-10-15(16)19-18-20(22-17(25)13-28-19)24(23-21(18)26)14-8-4-3-5-9-14/h6-7,10-11,14,19H,2-5,8-9,12-13H2,1H3,(H,22,25)(H,23,26)InChIKey
MGEOHISOXPXOLD-UHFFFAOYSA-NSynonyms
713506-08-21CYCLOHEXYL4(2PROPOXYPHENYL)46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
1cyclohexyl4(2propoxyphenyl)48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
1CYCLOHEXYL4(2PROPOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
713506082
CCCOC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4
CCCOc1ccccc1C1SCC(=O)Nc2c1c(=O)(nH)n2C1CCCCC1
InChI=1SC21H27N3O3Sc1212271611761015(16)191820(2217(25)132819)24(2321(18)26)148435914h6710111419H25891213H21H3(H2225)(H2326)
MFCD30715490
ZINC000006075887
ZINC000006075899
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