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1-(butan-2-yl)-3-hydroxy-4-[4-(pentyloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one

Catalog ID
STL237595
SMILES CCCCCOc1ccc(cc1)C1SCC(=O)Nc2c1c(O)nn2C(CC)C

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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 C21H29N3O3S MW 403.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O3S/c1-4-6-7-12-27-16-10-8-15(9-11-16)19-18-20(22-17(25)13-28-19)24(14(3)5-2)23-21(18)26/h8-11,14,19H,4-7,12-13H2,1-3H3,(H,22,25)(H,23,26)
InChIKey
ZOIXLMKIOZWTJH-UHFFFAOYSA-N
Synonyms
797796-69-1
(4R)1((2R)BUTAN2YL)4(4(PENTYLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4R)1((2S)BUTAN2YL)4(4(PENTYLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
(4S)1((2S)BUTAN2YL)4(4(PENTYLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1(1METHYLPROPYL)4(4(PENTYLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1(butan2yl)3hydroxy4(4(pentyloxy)phenyl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
1(secbutyl)3hydroxy4(4(pentyloxy)phenyl)68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
1BUTAN2YL4(4PENTOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
797796691
CCCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C(C)CC
InChI=1SC21H29N3O3Sc146712271610815(91116)191820(2217(25)132819)24(14(3)52)2321(18)26h8111419H471213H213H3(H2225)(H2326)
MFCD03667319
ZINC000005825022
ZINC000005825027

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Available files

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