Vitas-M small molecule compound
methyl 4-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}benzoate
Catalog ID
STK197362
SMILES COC(=O)c1ccc(cc1)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 C17H17N5O2 MW 323.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O2/c1-12-8-15(9-20-21-10-18-19-11-21)13(2)22(12)16-6-4-14(5-7-16)17(23)24-3/h4-11H,1-3H3/b20-9+InChIKey
KOSIKBMKZMCOFW-AWQFTUOYSA-NSynonyms
(E)methyl4(3(((4H124triazol4yl)imino)methyl)25dimethyl1Hpyrrol1yl)benzoate
4(25DIMETHYL3(124TRIAZOL4YLIMINOMETHYL)1PYRROLYL)BENZOICACIDMETHYLESTER
4(25DIMETHYL3(124TRIAZOL4YLIMINOMETHYL)PYRROL1YL)BENZOICACIDMETHYLESTER
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=NN3C=NN=C3
COC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=Nn1cnnc1
InChI=1SC17H17N5O2c112815(920211018191121)13(2)22(12)166414(5716)17(23)243h411H13H3b209+
METHYL4(25DIMETHYL3((E)(4H124TRIAZOL4YLIMINO)METHYL)1HPYRROL1YL)BENZOATE
METHYL4(25DIMETHYL3((E)124TRIAZOL4YLIMINOMETHYL)PYRROL1YL)BENZOATE
METHYL4(25DIMETHYL3(124TRIAZOL4YLIMINOMETHYL)PYRROL1YL)BENZOATE
MFCD02194846
ZINC000000447634
ZINC00447633
ZINC447633
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