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

Catalog ID
STL494067
SMILES CCCCOc1ccc(cc1)C1SCC(=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 C22H29N3O3S MW 415.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O3S/c1-2-3-13-28-17-11-9-15(10-12-17)20-19-21(23-18(26)14-29-20)25(24-22(19)27)16-7-5-4-6-8-16/h9-12,16,20H,2-8,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKey
BYWBJRZLPVMPJX-UHFFFAOYSA-N
Synonyms
692272-71-2
(4S)4(4BUTOXYPHENYL)1CYCLOHEXYL48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1CYCLOHEXYL3HYDROXY4(4BUTOXYPHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE7(6H)ONE
4(4BUTOXYPHENYL)1CYCLOHEXYL3HYDROXY48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPIN7(6H)ONE
4(4BUTOXYPHENYL)1CYCLOHEXYL3HYDROXY48DIHYDROPYRAZOLO(34E)(14)THIAZEPIN7ONE
4(4BUTOXYPHENYL)1CYCLOHEXYL46DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37DIOL
4(4butoxyphenyl)1cyclohexyl48dihydro1Hpyrazolo(34e)(14)thiazepine37(2H6H)dione
4(4BUTOXYPHENYL)1CYCLOHEXYL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
692272712
CCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4
CCCCOc1ccc(cc1)C1SCC(=O)Nc2c1c(=O)(nH)n2C1CCCCC1
InChI=1SC22H29N3O3Sc12313281711915(101217)201921(2318(26)142920)25(2422(19)27)167546816h9121620H281314H21H3(H2326)(H2427)
MFCD30716168
ZINC000013553145
ZINC000013553146

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Available files

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