Vitas-M small molecule compound

ethyl [4-(2,3-difluorophenyl)-7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-1-yl]acetate

Catalog ID
STL309222
SMILES CCOC(=O)Cn1nc(c2c1N=C(O)CSC2c1cccc(c1F)F)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 C17H17F2N3O3S MW 381.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F2N3O3S/c1-3-25-13(24)7-22-17-14(9(2)21-22)16(26-8-12(23)20-17)10-5-4-6-11(18)15(10)19/h4-6,16H,3,7-8H2,1-2H3,(H,20,23)
InChIKey
MNHGLRIVWGIOMC-UHFFFAOYSA-N
Synonyms
1401574-00-2
1401574002
ethyl(4(23difluorophenyl)7hydroxy3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin1yl)acetate
MFCD28028804
ZINC000079493956
ZINC000079493960

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Available files

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