Vitas-M small molecule compound
3-methyl-4-{5-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]furan-2-yl}benzoic acid
Catalog ID
STK197172
SMILES Cc1cc(ccc1c1ccc(o1)/C=N/n1cnnc1)C(=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 C15H12N4O3 MW 296.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12N4O3/c1-10-6-11(15(20)21)2-4-13(10)14-5-3-12(22-14)7-18-19-8-16-17-9-19/h2-9H,1H3,(H,20,21)/b18-7+InChIKey
TXIUFNVREMXCEA-CNHKJKLMSA-NSynonyms
597544-86-0(E)4(5(((4H124triazol4yl)imino)methyl)furan2yl)3methylbenzoicacid
3METHYL4(5((E)(4H124TRIAZOL4YLIMINO)METHYL)FURAN2YL)BENZOICACID
3METHYL4(5((E)124TRIAZOL4YLIMINOMETHYL)FURAN2YL)BENZOICACID
597544860
CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=NN3C=NN=C3
Cc1cc(ccc1c1ccc(o1)C=Nn1cnnc1)C(=O)O
InChI=1SC15H12N4O3c110611(15(20)21)2413(10)145312(2214)7181981617919h29H1H3(H2021)b187+
MFCD03923582
ZINC000000531764
ZINC531763
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