Vitas-M small molecule compound
4-[({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK565931
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)[O-])[nH+]nc1c1ccc(cc1)C(C)(C)C
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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 C28H28N4O4S MW 516.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O4S/c1-28(2,3)20-9-5-18(6-10-20)25-30-31-27(32(25)22-13-15-23(36-4)16-14-22)37-17-24(33)29-21-11-7-19(8-12-21)26(34)35/h5-16H,17H2,1-4H3,(H,29,33)(H,34,35)InChIKey
YTMSPLAXXKXSRN-UHFFFAOYSA-NSynonyms
585555-55-14((((5(4tertbutylphenyl)4(4methoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)amino)benzoate
585555551
COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)(O))(nH+)nc1c1ccc(cc1)C(C)(C)C
MFCD03474099
ZINC000002383576
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