Vitas-M small molecule compound
methyl 2-[({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK506318
SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc(n1c1ccccc1)c1ccco1
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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 C22H18N4O4S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4S/c1-29-21(28)16-10-5-6-11-17(16)23-19(27)14-31-22-25-24-20(18-12-7-13-30-18)26(22)15-8-3-2-4-9-15/h2-13H,14H2,1H3,(H,23,27)InChIKey
XFKBWUCZMFILGM-UHFFFAOYSA-NSynonyms
332867-75-1332867751
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4
InChI=1SC22H18N4O4Sc12921(28)1610561117(16)2319(27)143122252420(18127133018)26(22)158324915h213H14H21H3(H2327)
METHYL2((((5(2FURYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2((((5(2FURYL)4PHENYL4H124TRIAZOL3YL)THIO)ACETYL)AMINO)BENZOATE
methyl2((((5(furan2yl)4phenyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL2((2((5(FURAN2YL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl2(2((5(furan2yl)4phenyl4H124triazol3yl)thio)acetamido)benzoate
MFCD00331918
ZINC000002870220
ZINC02870220
ZINC2870220
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.