Vitas-M small molecule compound
3-({[(4-ethyl-5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STL182044
SMILES COc1cccc(c1)NC(=O)Cc1nnc(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(12-19(28)23-16-8-5-9-17(11-16)32-2)25-26-22(27)33-13-20(29)24-15-7-4-6-14(10-15)21(30)31/h4-11H,3,12-13H2,1-2H3,(H,23,28)(H,24,29)(H,30,31)InChIKey
PRLCIBMTKZZZDV-UHFFFAOYSA-NSynonyms
3((((4ethyl5(2((3methoxyphenyl)amino)2oxoethyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((4ethyl5(2(3methoxyanilino)2oxoethyl)124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CC(=O)NC3=CC(=CC=C3)OC
InChI=1SC22H23N5O5Sc132718(1219(28)231685917(1116)322)252622(27)331320(29)241574614(1015)21(30)31h411H31213H212H3(H2328)(H2429)(H3031)
MFCD04387983
ZINC000072191510
ZINC72191510
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