Vitas-M small molecule compound
4-chloro-3-{5-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]furan-2-yl}benzoic acid
Catalog ID
STL384045
SMILES OC(=O)c1ccc(c(c1)c1ccc(o1)/C=N/n1cnnc1)Cl
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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 C14H9ClN4O3 MW 316.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9ClN4O3/c15-12-3-1-9(14(20)21)5-11(12)13-4-2-10(22-13)6-18-19-7-16-17-8-19/h1-8H,(H,20,21)/b18-6+InChIKey
NDKXYEWYHPKRNR-NGYBGAFCSA-NSynonyms
4chloro3(5((E)(4H124triazol4ylimino)methyl)furan2yl)benzoicacid
4CHLORO3(5((E)124TRIAZOL4YLIMINOMETHYL)FURAN2YL)BENZOICACID
C1=CC(=C(C=C1C(=O)O)C2=CC=C(O2)C=NN3C=NN=C3)Cl
InChI=1SC14H9ClN4O3c1512319(14(20)21)511(12)134210(2213)6181971617819h18H(H2021)b186+
MFCD05040412
OC(=O)c1ccc(c(c1)c1ccc(o1)C=Nn1cnnc1)Cl
ZINC000000565898
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