Vitas-M small molecule compound
4-{2-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK190279
SMILES OC(=O)c1ccc(cc1)n1cccc1/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 C14H11N5O2 MW 281.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N5O2/c20-14(21)11-3-5-12(6-4-11)19-7-1-2-13(19)8-17-18-9-15-16-10-18/h1-10H,(H,20,21)/b17-8+InChIKey
IUXSMDCHPIJHTP-CAOOACKPSA-NSynonyms
4(2((E)(4H124TRIAZOL4YLIMINO)METHYL)1HPYRROL1YL)BENZOICACID
4(2((E)124TRIAZOL4YLIMINOMETHYL)PYRROL1YL)BENZOICACID
C1=CN(C(=C1)C=NN2C=NN=C2)C3=CC=C(C=C3)C(=O)O
InChI=1SC14H11N5O2c2014(21)113512(6411)1971213(19)81718915161018h110H(H2021)b178+
MFCD06150647
OC(=O)c1ccc(cc1)n1cccc1C=Nn1cnnc1
ZINC000001105567
ZINC1105566
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