Vitas-M small molecule compound
N-{1-[5-({2-[(3,5-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK117706
SMILES CCn1c(SCC(=O)Nc2cc(Cl)cc(c2)Cl)nnc1C(NC(=O)c1ccccc1)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 C21H21Cl2N5O2S MW 478.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N5O2S/c1-3-28-19(13(2)24-20(30)14-7-5-4-6-8-14)26-27-21(28)31-12-18(29)25-17-10-15(22)9-16(23)11-17/h4-11,13H,3,12H2,1-2H3,(H,24,30)(H,25,29)InChIKey
BQNXDSUOIVTJTR-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)Cl)Cl)C(C)NC(=O)C3=CC=CC=C3
InChI=1SC21H21Cl2N5O2Sc132819(13(2)2420(30)147546814)262721(28)311218(29)25171015(22)916(23)1117h41113H312H212H3(H2430)(H2529)
MFCD03996270
N(1(5((2((35DICHLOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
N(1(5(2(35DICHLOROANILINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
ZINC000001144752
ZINC000001144754
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