Vitas-M small molecule compound
3-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
Catalog ID
STK677752
SMILES COc1cc(ccc1OC)C(NS(=O)(=O)c1cccc2c1nsn2)CC(=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 C17H17N3O6S2 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O6S2/c1-25-13-7-6-10(8-14(13)26-2)12(9-16(21)22)20-28(23,24)15-5-3-4-11-17(15)19-27-18-11/h3-8,12,20H,9H2,1-2H3,(H,21,22)InChIKey
KGGWBRHSXYJWQF-UHFFFAOYSA-NSynonyms
3((213benzothiadiazol4ylsulfonyl)amino)3(34dimethoxyphenyl)propanoicacid
3((BENZO(23C)125THIADIAZOL4YLSULFONYL)AMINO)3(34DIMETHOXYPHENYL)PROPANOICACID
3(213BENZOTHIADIAZOL4YLSULFONYLAMINO)3(34DIMETHOXYPHENYL)PROPANOICACID
COC1=C(C=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=CC3=NSN=C32)OC
InChI=1SC17H17N3O6S2c125137610(814(13)262)12(916(21)22)2028(2324)155341117(15)19271811h381220H9H212H3(H2122)
MFCD03035838
ZINC000012371219
ZINC000012371220
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