Vitas-M small molecule compound
methyl 2-[({[5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL376448
SMILES COc1cc(OC)cc(c1)c1nnc([nH]1)SCC(=O)Nc1ccccc1C(=O)OC
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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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c1-27-13-8-12(9-14(10-13)28-2)18-22-20(24-23-18)30-11-17(25)21-16-7-5-4-6-15(16)19(26)29-3/h4-10H,11H2,1-3H3,(H,21,25)(H,22,23,24)InChIKey
MLRRDJJWOQFIAB-UHFFFAOYSA-NSynonyms
COC1=CC(=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=CC=C3C(=O)OC)OC
COc1cc(OC)cc(c1)c1nnc((nH)1)SCC(=O)Nc1ccccc1C(=O)OC
InChI=1SC20H20N4O5Sc12713812(914(1013)282)182220(242318)301117(25)2116754615(16)19(26)293h410H11H213H3(H2125)(H222324)
methyl2((((5(35dimethoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL2((2((5(35DIMETHOXYPHENYL)1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD05815614
ZINC000006603388
ZINC02870402
ZINC06603388
ZINC6603388
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