Vitas-M small molecule compound
4-({[4-ammonio-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Catalog ID
STL053562
SMILES Cc1cccc(c1)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 C17H16N4O2S MW 340.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O2S/c1-11-3-2-4-14(9-11)15-19-20-17(21(15)18)24-10-12-5-7-13(8-6-12)16(22)23/h2-9H,10,18H2,1H3,(H,22,23)InChIKey
GYUNMFKJRYJPNM-UHFFFAOYSA-NSynonyms
585558-35-6Cc1cccc(c1)c1nnc(n1(NH3+))SCc1ccc(cc1)C(=O)(O)
Registry IDs
MFCD04028347ZINC000000532029
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