Vitas-M small molecule compound

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

Catalog ID
STL237638
SMILES O=C1CSC(c2c(N1)n(nc2O)C1CCCCC1)c1ccc(cc1)OC(C)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 C21H27N3O3S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S/c1-13(2)27-16-10-8-14(9-11-16)19-18-20(22-17(25)12-28-19)24(23-21(18)26)15-6-4-3-5-7-15/h8-11,13,15,19H,3-7,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKey
XHKLKSQZJRXRFJ-UHFFFAOYSA-N
Synonyms
797763-86-1
1cyclohexyl3hydroxy4(4(propan2yloxy)phenyl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
1cyclohexyl3hydroxy4(4isopropoxyphenyl)68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
1CYCLOHEXYL4(4PROPAN2YLOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
797763861
CC(C)OC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4
InChI=1SC21H27N3O3Sc113(2)271610814(91116)191820(2217(25)122819)24(2321(18)26)156435715h811131519H3712H212H3(H2225)(H2326)
MFCD03663995
ZINC000005690078
ZINC000005690080

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Available files

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