Vitas-M small molecule compound
methyl 3-[({[5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL416254
SMILES COc1cc(OC)cc(c1)c1nnc([nH]1)SCC(=O)Nc1cccc(c1)C(=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/c1-27-15-8-13(9-16(10-15)28-2)18-22-20(24-23-18)30-11-17(25)21-14-6-4-5-12(7-14)19(26)29-3/h4-10H,11H2,1-3H3,(H,21,25)(H,22,23,24)InChIKey
WGKVRHSICUXDHQ-UHFFFAOYSA-NSynonyms
COC1=CC(=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=CC(=C3)C(=O)OC)OC
COc1cc(OC)cc(c1)c1nnc((nH)1)SCC(=O)Nc1cccc(c1)C(=O)OC
InChI=1SC20H20N4O5Sc12715813(916(1015)282)182220(242318)301117(25)211464512(714)19(26)293h410H11H213H3(H2125)(H222324)
methyl3((((5(35dimethoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL3((2((5(35DIMETHOXYPHENYL)1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD05842281
ZINC000014137140
ZINC14137140
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