Vitas-M small molecule compound
4-chloro-N-{[4-ethyl-5-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK114672
SMILES CCn1c(CNC(=O)c2ccc(cc2)Cl)nnc1SCC(=O)Nc1ccccc1CC
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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 C22H24ClN5O2S MW 457.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN5O2S/c1-3-15-7-5-6-8-18(15)25-20(29)14-31-22-27-26-19(28(22)4-2)13-24-21(30)16-9-11-17(23)12-10-16/h5-12H,3-4,13-14H2,1-2H3,(H,24,30)(H,25,29)InChIKey
PYVHLWVDTQJAJX-UHFFFAOYSA-NSynonyms
4CHLORON((4ETHYL5((2((2ETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4CHLORON((4ETHYL5(2(2ETHYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC)CNC(=O)C3=CC=C(C=C3)Cl
InChI=1SC22H24ClN5O2Sc1315756818(15)2520(29)143122272619(28(22)42)132421(30)1691117(23)121016h512H341314H212H3(H2430)(H2529)
MFCD04128631
ZINC000002840954
ZINC02840954
ZINC2840954
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