Vitas-M small molecule compound
3-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK195680
SMILES OC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=N/n1cnnc1
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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 C16H15N5O2 MW 309.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O2/c1-11-6-14(8-19-20-9-17-18-10-20)12(2)21(11)15-5-3-4-13(7-15)16(22)23/h3-10H,1-2H3,(H,22,23)/b19-8+InChIKey
JPRNMWMGBZDCEI-UFWORHAWSA-NSynonyms
593272-51-6(E)3(3(((4H124triazol4yl)imino)methyl)25dimethyl1Hpyrrol1yl)benzoicacid
3(25DIMETHYL3((E)(4H124TRIAZOL4YLIMINO)METHYL)1HPYRROL1YL)BENZOICACID
3(25DIMETHYL3((E)124TRIAZOL4YLIMINOMETHYL)PYRROL1YL)BENZOICACID
3(25DIMETHYL3(124TRIAZOL4YLIMINOMETHYL)1PYRROLYL)BENZOICACID
3(25DIMETHYL3(124TRIAZOL4YLIMINOMETHYL)PYRROL1YL)BENZOICACID
593272516
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=NN3C=NN=C3
InChI=1SC16H15N5O2c111614(81920917181020)12(2)21(11)1553413(715)16(22)23h310H12H3(H2223)b198+
MFCD03923215
OC(=O)c1cccc(c1)n1c(C)cc(c1C)C=Nn1cnnc1
ZINC000000531301
ZINC8578791
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