Vitas-M small molecule compound
3-[(2Z)-2-(2,4-dimethoxybenzylidene)-6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-7-yl]-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanoic acid
Catalog ID
STL551308
SMILES COc1ccc(c(c1)OC)/C=C/1\Oc2c(C1=O)ccc(c2C(c1ccc2c(c1)n(C)c(=O)n2C)CC(=O)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 C29H26N2O8 MW 530.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O8/c1-30-20-9-6-15(11-21(20)31(2)29(30)36)19(14-25(33)34)26-22(32)10-8-18-27(35)24(39-28(18)26)12-16-5-7-17(37-3)13-23(16)38-4/h5-13,19,32H,14H2,1-4H3,(H,33,34)/b24-12-InChIKey
ADEDLQMAAZNEPD-MSXFZWOLSA-NSynonyms
(Z)3(2(24dimethoxybenzylidene)6hydroxy3oxo23dihydrobenzofuran7yl)3(13dimethyl2oxo23dihydro1Hbenzo(d)imidazol5yl)propanoicacid
127252643
3((2~(Z))2((24dimethoxyphenyl)methylidene)6hydroxy3oxo1benzofuran7yl)3(13dimethyl2oxobenzimidazol5yl)propanoicacid
3((2Z)2(24dimethoxybenzylidene)6hydroxy3oxo23dihydro1benzofuran7yl)3(13dimethyl2oxo23dihydro1Hbenzimidazol5yl)propanoicacid
COc1ccc(c(c1)OC)C=C1Oc2c(C1=O)ccc(c2C(c1ccc2c(c1)n(C)c(=O)n2C)CC(=O)O)O
InChI=1SC29H26N2O8c130209615(1121(20)31(2)29(30)36)19(1425(33)34)2622(32)1081827(35)24(3928(18)26)12165717(373)1323(16)384h5131932H14H214H3(H3334)b2412
MFCD31758062
ZINC000604404045
ZINC001081803784
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