Vitas-M small molecule compound
2-{5-[(1-benzyl-4,5-dimethyl-3-oxido-1H-imidazol-2-yl)(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)methyl]furan-2-yl}benzoic acid
Catalog ID
STL567490
SMILES O=C1N(C)C(=O)C(C(=O)N1C)C(c1n(Cc2ccccc2)c(c([n+]1[O-])C)C)c1ccc(o1)c1ccccc1C(=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 C30H28N4O7 MW 556.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O7/c1-17-18(2)34(40)26(33(17)16-19-10-6-5-7-11-19)24(25-27(35)31(3)30(39)32(4)28(25)36)23-15-14-22(41-23)20-12-8-9-13-21(20)29(37)38/h5-15,24-25H,16H2,1-4H3,(H,37,38)InChIKey
ZDEZYTNYFYKMNV-UHFFFAOYSA-NSynonyms
128963072
1benzyl2((5(2carboxyphenyl)furan2yl)(13dimethyl246trioxohexahydropyrimidin5yl)methyl)45dimethyl1Himidazole3oxide
2(5((1benzyl45dimethyl3oxido1Himidazol2yl)(13dimethyl246trioxohexahydropyrimidin5yl)methyl)furan2yl)benzoicacid
2(5((1benzyl45dimethyl3oxidoimidazol3ium2yl)(13dimethyl246trioxo13diazinan5yl)methyl)furan2yl)benzoicacid
InChI=1SC30H28N4O7c11718(2)34(40)26(33(17)1619106571119)24(2527(35)31(3)30(39)32(4)28(25)36)23151422(4123)2012891321(20)29(37)38h5152425H16H214H3(H3738)
MFCD32652699
O=C1N(C)C(=O)C(C(=O)N1C)C(c1n(Cc2ccccc2)c(c((n+)1(O))C)C)c1ccc(o1)c1ccccc1C(=O)O
ZINC000524734120
ZINC000524734121
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