Vitas-M small molecule compound
4-[(E)-{[3-(furan-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid
Catalog ID
STK580306
SMILES OC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccco1
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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 C14H10N4O3S MW 314.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10N4O3S/c19-13(20)10-5-3-9(4-6-10)8-15-18-12(16-17-14(18)22)11-2-1-7-21-11/h1-8H,(H,17,22)(H,19,20)/b15-8+InChIKey
SLBSDFMMESYBCJ-OVCLIPMQSA-NSynonyms
183536-37-0183536370
4((E)((3(furan2yl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoicacid
4((E)(3(FURAN2YL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOICACID
C1=COC(=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)O
InChI=1SC14H10N4O3Sc1913(20)10539(4610)8151812(161714(18)22)112172111h18H(H1722)(H1920)b158+
MFCD07199511
OC(=O)c1ccc(cc1)C=Nn1c(=S)(nH)nc1c1ccco1
ZINC000000549751
ZINC33325793
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