Vitas-M small molecule compound
4-{5-[(Z)-(2-imino-3-methyl-5-oxoimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STL477263
SMILES N=C1NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)C(=O)O)/N1C
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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 C16H13N3O4 MW 311.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O4/c1-19-12(14(20)18-16(19)17)8-11-6-7-13(23-11)9-2-4-10(5-3-9)15(21)22/h2-8H,1H3,(H,21,22)(H2,17,18,20)/b12-8-InChIKey
HANBQILXQOXFHY-WQLSENKSSA-NSynonyms
4(5((Z)(2amino3methyl5oxoimidazol4ylidene)methyl)furan2yl)benzoicacid
4(5((Z)(2imino3methyl5oxoimidazolidin4ylidene)methyl)furan2yl)benzoicacid
CN1C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)C(=O)N=C1N
InChI=1SC16H13N3O4c11912(14(20)1816(19)17)8116713(2311)92410(539)15(21)22h28H1H3(H2122)(H2171820)b128
MFCD30713132
N=C1NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)C(=O)O)N1C
ZINC000334160538
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