Vitas-M small molecule compound
methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STL123016
SMILES OCC(c1nnc(n1C)SCC(=O)Nc1cccc(c1)C(=O)OC)NC(=O)c1ccccc1
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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 C22H23N5O5S MW 469.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O5S/c1-27-19(17(12-28)24-20(30)14-7-4-3-5-8-14)25-26-22(27)33-13-18(29)23-16-10-6-9-15(11-16)21(31)32-2/h3-11,17,28H,12-13H2,1-2H3,(H,23,29)(H,24,30)InChIKey
IWZVOHUZOHNHBN-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C(CO)NC(=O)C3=CC=CC=C3
InChI=1SC22H23N5O5Sc12719(17(1228)2420(30)147435814)252622(27)331318(29)2316106915(1116)21(31)322h3111728H1213H212H3(H2329)(H2430)
METHYL3((((5((1S)1(BENZOYLAMINO)2HYDROXYETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl3((((5(2hydroxy1((phenylcarbonyl)amino)ethyl)4methyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL3((2((5(1BENZAMIDO2HYDROXYETHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06623789
ZINC000002871791
ZINC000002871792
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