Vitas-M small molecule compound

1-cyclohexyl-3-hydroxy-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one

Catalog ID
STK552044
SMILES C=CCOc1ccc(cc1)C1SCC(=O)Nc2c1c(O)nn2C1CCCCC1

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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 C21H25N3O3S MW 399.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O3S/c1-2-12-27-16-10-8-14(9-11-16)19-18-20(22-17(25)13-28-19)24(23-21(18)26)15-6-4-3-5-7-15/h2,8-11,15,19H,1,3-7,12-13H2,(H,22,25)(H,23,26)
InChIKey
AUPBPGARDJFDNA-UHFFFAOYSA-N
Synonyms
685122-08-1
(4S)1CYCLOHEXYL4(4(PROP2EN1YLOXY)PHENYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
1cyclohexyl3hydroxy4(4(prop2en1yloxy)phenyl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
1CYCLOHEXYL4(4PROP2ENOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(4(allyloxy)phenyl)1cyclohexyl3hydroxy68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
685122081
C=CCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4
InChI=1SC21H25N3O3Sc1212271610814(91116)191820(2217(25)132819)24(2321(18)26)156435715h28111519H1371213H2(H2225)(H2326)
MFCD03627916
ZINC000005789342
ZINC000005789345

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Available files

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