Vitas-M small molecule compound
4-methyl-3-{5-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]furan-2-yl}benzoic acid
Catalog ID
STL070744
SMILES OC(=O)c1ccc(c(c1)c1ccc(o1)/C=N/n1cnnc1)C
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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 C15H12N4O3 MW 296.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12N4O3/c1-10-2-3-11(15(20)21)6-13(10)14-5-4-12(22-14)7-18-19-8-16-17-9-19/h2-9H,1H3,(H,20,21)/b18-7+InChIKey
DXKUHNIPEZDVDS-CNHKJKLMSA-NSynonyms
597544-87-1(E)3(5(((4H124triazol4yl)imino)methyl)furan2yl)4methylbenzoicacid
4methyl3(5((E)(4H124triazol4ylimino)methyl)furan2yl)benzoicacid
4METHYL3(5((E)124TRIAZOL4YLIMINOMETHYL)FURAN2YL)BENZOICACID
597544871
CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)C=NN3C=NN=C3
InChI=1SC15H12N4O3c1102311(15(20)21)613(10)145412(2214)7181981617919h29H1H3(H2021)b187+
MFCD03923583
OC(=O)c1ccc(c(c1)c1ccc(o1)C=Nn1cnnc1)C
ZINC000000317734
ZINC317732
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