Vitas-M small molecule compound

1-cycloheptyl-4-(2-ethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione

Catalog ID
STL494471
SMILES CCOc1ccccc1C1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCCCC1

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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/c1-2-27-16-12-8-7-11-15(16)19-18-20(22-17(25)13-28-19)24(23-21(18)26)14-9-5-3-4-6-10-14/h7-8,11-12,14,19H,2-6,9-10,13H2,1H3,(H,22,25)(H,23,26)
InChIKey
NIJSTSVLIPVAQT-UHFFFAOYSA-N
Synonyms
714932-45-3
(4R)1CYCLOHEPTYL4(2ETHOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4S)1CYCLOHEPTYL4(2ETHOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1CYCLOHEPTYL4(2ETHOXYPHENYL)46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
1cycloheptyl4(2ethoxyphenyl)48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
1CYCLOHEPTYL4(2ETHOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
714932453
CCOC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4
CCOc1ccccc1C1SCC(=O)Nc2c1c(=O)(nH)n2C1CCCCCC1
InChI=1SC21H27N3O3Sc12271612871115(16)191820(2217(25)132819)24(2321(18)26)14953461014h7811121419H2691013H21H3(H2225)(H2326)
MFCD30716430
ZINC000005673329
ZINC000005673373

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.