Vitas-M small molecule compound
ethyl 4-[({[5-(4-{[(2-chlorophenyl)carbonyl]amino}phenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK171796
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)c1ccc(cc1)NC(=O)c1ccccc1Cl
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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 C27H24ClN5O4S MW 550.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN5O4S/c1-3-37-26(36)18-10-14-19(15-11-18)29-23(34)16-38-27-32-31-24(33(27)2)17-8-12-20(13-9-17)30-25(35)21-6-4-5-7-22(21)28/h4-15H,3,16H2,1-2H3,(H,29,34)(H,30,35)InChIKey
MRXZOQAUZWGANT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl
ETHYL4((((5(4(((2CHLOROPHENYL)CARBONYL)AMINO)PHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ethyl4((2((5(4((2chlorobenzoyl)amino)phenyl)4methyl124triazol3yl)sulfanyl)acetyl)amino)benzoate
InChI=1SC27H24ClN5O4Sc133726(36)18101419(151118)2923(34)163827323124(33(27)2)1781220(13917)3025(35)21645722(21)28h415H316H212H3(H2934)(H3035)
MFCD03870323
ZINC000097995723
ZINC97995723
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