Vitas-M small molecule compound
4-({[4-ammonio-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Catalog ID
STL040555
SMILES COc1ccc(cc1)c1nnc(n1[NH3+])SCc1ccc(cc1)C(=O)[O-]
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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 C17H16N4O3S MW 356.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O3S/c1-24-14-8-6-12(7-9-14)15-19-20-17(21(15)18)25-10-11-2-4-13(5-3-11)16(22)23/h2-9H,10,18H2,1H3,(H,22,23)InChIKey
RSPRDSDJPNZTIM-UHFFFAOYSA-NSynonyms
573937-06-14(((4ammonio5(4methoxyphenyl)4H124triazol3yl)sulfanyl)methyl)benzoate
4((4AMINO5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZOICACID
4((4AMINO5(4METHOXYPHENYL)124TRIAZOL3YLTHIO)METHYL)BENZOICACID
4((4AZANIUMYL5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZOATE
4(4AMINO5(4METHOXYPHENYL)4H(124)TRIAZOL3YLSULFANYLMETHYL)BENZOICACID
573937061
COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)O
COc1ccc(cc1)c1nnc(n1(NH3+))SCc1ccc(cc1)C(=O)(O)
InChI=1SC17H16N4O3Sc124148612(7914)15192017(21(15)18)2510112413(5311)16(22)23h29H1018H21H3(H2223)
MFCD04020187
ZINC000005069892
ZINC5069892
Check stock
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Check stock on Vitas-MAvailable files
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