Vitas-M small molecule compound
4-[(E)-{[3-(phenoxymethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid
Catalog ID
STK926683
SMILES OC(=O)c1ccc(cc1)/C=N/n1c(S)nnc1COc1ccccc1
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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 C17H14N4O3S MW 354.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O3S/c22-16(23)13-8-6-12(7-9-13)10-18-21-15(19-20-17(21)25)11-24-14-4-2-1-3-5-14/h1-10H,11H2,(H,20,25)(H,22,23)/b18-10+InChIKey
LTZBXYVYFIHMDY-VCHYOVAHSA-NSynonyms
488733-50-2(E)4(((3mercapto5(phenoxymethyl)4H124triazol4yl)imino)methyl)benzoicacid
4((E)((3(phenoxymethyl)5sulfanyl4H124triazol4yl)imino)methyl)benzoicacid
4((E)(3(PHENOXYMETHYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOICACID
488733502
C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)O
InChI=1SC17H14N4O3Sc2216(23)138612(7913)10182115(192017(21)25)1124144213514h110H11H2(H2025)(H2223)b1810+
MFCD03221909
OC(=O)c1ccc(cc1)C=Nn1c(S)nnc1COc1ccccc1
ZINC000001475920
ZINC33341729
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