Vitas-M small molecule compound

(2E)-3-{3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethoxyphenyl}prop-2-enoic acid

Catalog ID
STL300035
SMILES OCCNS(=O)(=O)c1cc(/C=C/C(=O)O)cc(c1OC)OC

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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 C13H17NO7S MW 331.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17NO7S/c1-20-10-7-9(3-4-12(16)17)8-11(13(10)21-2)22(18,19)14-5-6-15/h3-4,7-8,14-15H,5-6H2,1-2H3,(H,16,17)/b4-3+
InChIKey
UYHIQEDZRDRQEH-ONEGZZNKSA-N
Synonyms
1164556-64-2
(2E)3(3(((2HYDROXYETHYL)AMINO)SULFONYL)45DIMETHOXYPHENYL)PROP2ENOICACID
(2E)3(3((2hydroxyethyl)sulfamoyl)45dimethoxyphenyl)prop2enoicacid
(E)3(3(2HYDROXYETHYLSULFAMOYL)45DIMETHOXYPHENYL)ACRYLICACID
(E)3(3(2HYDROXYETHYLSULFAMOYL)45DIMETHOXYPHENYL)PROP2ENOICACID
(E)3(3(N(2hydroxyethyl)sulfamoyl)45dimethoxyphenyl)acrylicacid
1164556642
COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCCO)OC
InChI=1SC13H17NO7Sc1201079(3412(16)17)811(13(10)212)22(1819)145615h34781415H56H212H3(H1617)b43+
MFCD02658250
OCCNS(=O)(=O)c1cc(C=CC(=O)O)cc(c1OC)OC
ZINC000002303171
ZINC2303171

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Available files

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