Vitas-M small molecule compound
3-[({[4-ethyl-5-({[(3-methoxyphenyl)carbonyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL182148
SMILES COc1cccc(c1)C(=O)NCc1nnc(n1CC)SCC(=O)Nc1cccc(c1)C(=O)O
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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/c1-3-27-18(12-23-20(29)14-6-5-9-17(11-14)32-2)25-26-22(27)33-13-19(28)24-16-8-4-7-15(10-16)21(30)31/h4-11H,3,12-13H2,1-2H3,(H,23,29)(H,24,28)(H,30,31)InChIKey
IMHVHYLMXYGIDD-UHFFFAOYSA-NSynonyms
3((((4ethyl5((((3methoxyphenyl)carbonyl)amino)methyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((4ethyl5(((3methoxybenzoyl)amino)methyl)124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CNC(=O)C3=CC(=CC=C3)OC
InChI=1SC22H23N5O5Sc132718(122320(29)1465917(1114)322)252622(27)331319(28)241684715(1016)21(30)31h411H31213H212H3(H2329)(H2428)(H3031)
MFCD22125432
ZINC000072191505
ZINC72191505
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