Vitas-M small molecule compound

4-(4-methoxyphenyl)-3-methyl-1-(pyrimidin-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol

Catalog ID
STK652011
SMILES COc1ccc(cc1)C1SCC(=Nc2c1c(C)nn2c1ncccn1)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 C18H17N5O2S MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O2S/c1-11-15-16(12-4-6-13(25-2)7-5-12)26-10-14(24)21-17(15)23(22-11)18-19-8-3-9-20-18/h3-9,16H,10H2,1-2H3,(H,21,24)
InChIKey
IQNIZXJJODWJQZ-UHFFFAOYSA-N
Synonyms
1081148-88-0
1081148880
4(4methoxyphenyl)3methyl1(pyrimidin2yl)46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
MFCD18166182
ZINC000020716510
ZINC000020716513

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Available files

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