Vitas-M small molecule compound

1-benzyl-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol

Catalog ID
STL319443
SMILES COc1ccc(cc1O)C1SCC(=Nc2c1c(C)nn2Cc1ccccc1)O

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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 C21H21N3O3S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S/c1-13-19-20(15-8-9-17(27-2)16(25)10-15)28-12-18(26)22-21(19)24(23-13)11-14-6-4-3-5-7-14/h3-10,20,25H,11-12H2,1-2H3,(H,22,26)
InChIKey
NLUOQGPYCUDYOE-UHFFFAOYSA-N
Synonyms
1435904-13-4
1435904134
1benzyl4(3hydroxy4methoxyphenyl)3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
MFCD28031875
ZINC000095480071
ZINC000095480072

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Available files

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