Vitas-M small molecule compound
methyl (2Z)-azepan-2-ylidene[(2-fluorophenyl)sulfonyl]ethanoate
Catalog ID
STL133626
SMILES COC(=O)/C(=C/1\CCCCCN1)/S(=O)(=O)c1ccccc1F
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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 C15H18FNO4S MW 327.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18FNO4S/c1-21-15(18)14(12-8-3-2-6-10-17-12)22(19,20)13-9-5-4-7-11(13)16/h4-5,7,9,17H,2-3,6,8,10H2,1H3/b14-12-InChIKey
FVIBUYOTESRQCT-OWBHPGMISA-NSynonyms
COC(=O)C(=C1CCCCCN1)S(=O)(=O)c1ccccc1F
COC(=O)C(=C1CCCCCN1)S(=O)(=O)C2=CC=CC=C2F
InChI=1SC15H18FNO4Sc12115(18)14(128326101712)22(1920)13954711(13)16h457917H236810H21H3b1412
methyl(2Z)2(azepan2ylidene)2(2fluorophenyl)sulfonylacetate
methyl(2Z)azepan2ylidene((2fluorophenyl)sulfonyl)ethanoate
MFCD20753779
ZINC000067340907
ZINC67340907
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