Vitas-M small molecule compound

(2E)-3-{3-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-4,5-dimethoxyphenyl}prop-2-enoic acid

Catalog ID
STL300062
SMILES COc1c(OC)cc(cc1S(=O)(=O)NCc1ccc2c(c1)OCO2)/C=C/C(=O)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 C19H19NO8S MW 421.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO8S/c1-25-16-7-12(4-6-18(21)22)9-17(19(16)26-2)29(23,24)20-10-13-3-5-14-15(8-13)28-11-27-14/h3-9,20H,10-11H2,1-2H3,(H,21,22)/b6-4+
InChIKey
LRNREMGFJGZAAJ-GQCTYLIASA-N
Synonyms

(2E)3(3(((2HBENZO(34D)13DIOXOLAN5YLMETHYL)AMINO)SULFONYL)45DIMETHOXYPHENYL)PROP2ENOICACID
(2E)3(3((13benzodioxol5ylmethyl)sulfamoyl)45dimethoxyphenyl)prop2enoicacid
(E)3(3(13BENZODIOXOL5YLMETHYLSULFAMOYL)45DIMETHOXYPHENYL)2PROPENOICACID
(E)3(3(13BENZODIOXOL5YLMETHYLSULFAMOYL)45DIMETHOXYPHENYL)PROP2ENOICACID
(E)3(3(N(benzo(d)(13)dioxol5ylmethyl)sulfamoyl)45dimethoxyphenyl)acrylicacid
(E)3(34DIMETHOXY5(PIPERONYLSULFAMOYL)PHENYL)ACRYLICACID
COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)OC
COc1c(OC)cc(cc1S(=O)(=O)NCc1ccc2c(c1)OCO2)C=CC(=O)O
InChI=1SC19H19NO8Sc12516712(4618(21)22)917(19(16)262)29(2324)201013351415(813)28112714h3920H1011H212H3(H2122)b64+
MFCD02658249
ZINC000000908901
ZINC908901

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Available files

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