Vitas-M small molecule compound
3-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-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
STL545995
SMILES OC(=O)CC(c1c(O)ccc2c1O/C(=C\c1ccc3c(c1)OCCO3)/C2=O)c1ccc2c(c1)n(C)c(=O)n2C
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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 C29H24N2O8 MW 528.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O8/c1-30-19-6-4-16(13-20(19)31(2)29(30)36)18(14-25(33)34)26-21(32)7-5-17-27(35)24(39-28(17)26)12-15-3-8-22-23(11-15)38-10-9-37-22/h3-8,11-13,18,32H,9-10,14H2,1-2H3,(H,33,34)/b24-12-InChIKey
HRJTVVOPJGDDMN-MSXFZWOLSA-NSynonyms
(Z)3(2((23DIHYDROBENZO(B)(14)DIOXIN6YL)METHYLENE)6HYDROXY3OXO23DIHYDROBENZOFURAN7YL)3(13DIMETHYL2OXO23DIHYDRO1HBENZO(D)IMIDAZOL5YL)PROPANOICACID
121541801
3((2~(Z))2(23dihydro14benzodioxin6ylmethylidene)6hydroxy3oxo1benzofuran7yl)3(13dimethyl2oxobenzimidazol5yl)propanoicacid
3((2Z)2(23dihydro14benzodioxin6ylmethylidene)6hydroxy3oxo23dihydro1benzofuran7yl)3(13dimethyl2oxo23dihydro1Hbenzimidazol5yl)propanoicacid
InChI=1SC29H24N2O8c130196416(1320(19)31(2)29(30)36)18(1425(33)34)2621(32)751727(35)24(3928(17)26)1215382223(1115)381093722h3811131832H91014H212H3(H3334)b2412
MFCD30344380
OC(=O)CC(c1c(O)ccc2c1OC(=Cc1ccc3c(c1)OCCO3)C2=O)c1ccc2c(c1)n(C)c(=O)n2C
ZINC000263585348
ZINC001081801510
Check stock
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Check stock on Vitas-MAvailable files
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