Vitas-M small molecule compound
3-[({[4-ethyl-5-(1-{[(4-methoxyphenyl)acetyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL182106
SMILES COc1ccc(cc1)CC(=O)NC(c1nnc(n1CC)SCC(=O)Nc1cccc(c1)C(=O)O)C
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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 C24H27N5O5S MW 497.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O5S/c1-4-29-22(15(2)25-20(30)12-16-8-10-19(34-3)11-9-16)27-28-24(29)35-14-21(31)26-18-7-5-6-17(13-18)23(32)33/h5-11,13,15H,4,12,14H2,1-3H3,(H,25,30)(H,26,31)(H,32,33)InChIKey
UDWXJZHLNOIRLJ-UHFFFAOYSA-NSynonyms
3((((4ethyl5(1(((4methoxyphenyl)acetyl)amino)ethyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((4ethyl5(1((2(4methoxyphenyl)acetyl)amino)ethyl)124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C(C)NC(=O)CC3=CC=C(C=C3)OC
InChI=1SC24H27N5O5Sc142922(15(2)2520(30)121681019(343)11916)272824(29)351421(31)261875617(1318)23(32)33h5111315H41214H213H3(H2530)(H2631)(H3233)
MFCD22125450
ZINC000072191520
ZINC000072191521
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