Vitas-M small molecule compound

methyl (2Z)-azepan-2-ylidene[(2,4-difluorophenyl)sulfonyl]ethanoate

Catalog ID
STL133627
SMILES COC(=O)/C(=C/1\CCCCCN1)/S(=O)(=O)c1ccc(cc1F)F

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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 C15H17F2NO4S MW 345.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17F2NO4S/c1-22-15(19)14(12-5-3-2-4-8-18-12)23(20,21)13-7-6-10(16)9-11(13)17/h6-7,9,18H,2-5,8H2,1H3/b14-12-
InChIKey
UHZBGVGFHIVAFQ-OWBHPGMISA-N
Synonyms

COC(=O)C(=C1CCCCCN1)S(=O)(=O)c1ccc(cc1F)F
COC(=O)C(=C1CCCCCN1)S(=O)(=O)C2=C(C=C(C=C2)F)F
InChI=1SC15H17F2NO4Sc12215(19)14(12532481812)23(2021)137610(16)911(13)17h67918H258H21H3b1412
methyl(2Z)2(azepan2ylidene)2(24difluorophenyl)sulfonylacetate
methyl(2Z)azepan2ylidene((24difluorophenyl)sulfonyl)ethanoate
MFCD20753780
ZINC000067340908
ZINC67340908

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Available files

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