Vitas-M small molecule compound
ethyl 3-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK126056
SMILES CCOC(=O)c1cccc(c1)NC(=O)CSc1nnc(n1CC)CNC(=O)c1ccc(cc1)Cl
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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 C23H24ClN5O4S MW 501.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN5O4S/c1-3-29-19(13-25-21(31)15-8-10-17(24)11-9-15)27-28-23(29)34-14-20(30)26-18-7-5-6-16(12-18)22(32)33-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,25,31)(H,26,30)InChIKey
JPKDLSOHCBSJJS-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OCC)CNC(=O)C3=CC=C(C=C3)Cl
ETHYL3((((5((((4CHLOROPHENYL)CARBONYL)AMINO)METHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL3((2((5(((4CHLOROBENZOYL)AMINO)METHYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC23H24ClN5O4Sc132919(132521(31)1581017(24)11915)272823(29)341420(30)261875616(1218)22(32)3342h512H341314H212H3(H2531)(H2630)
MFCD04212888
ZINC000012630798
ZINC12630798
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