Vitas-M small molecule compound

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

Catalog ID
STK656957
SMILES COc1c(ccc(c1OC)OC)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 C20H21N5O4S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O4S/c1-11-15-18(12-6-7-13(27-2)17(29-4)16(12)28-3)30-10-14(26)23-19(15)25(24-11)20-21-8-5-9-22-20/h5-9,18H,10H2,1-4H3,(H,23,26)
InChIKey
YYNRPNDHRQKAQR-UHFFFAOYSA-N
Synonyms
1081122-02-2
1081122022
3methyl1(pyrimidin2yl)4(234trimethoxyphenyl)46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
MFCD18167870
ZINC000020721202
ZINC000020721205

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Available files

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