Vitas-M small molecule compound
3,4-dichloro-N-{2-[4-ethyl-5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK151589
SMILES COc1ccc(cc1)NC(=O)CSc1nnc(n1CC)CCNC(=O)c1ccc(c(c1)Cl)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 C22H23Cl2N5O3S MW 508.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl2N5O3S/c1-3-29-19(10-11-25-21(31)14-4-9-17(23)18(24)12-14)27-28-22(29)33-13-20(30)26-15-5-7-16(32-2)8-6-15/h4-9,12H,3,10-11,13H2,1-2H3,(H,25,31)(H,26,30)InChIKey
JGMLLJJBNKAVLX-UHFFFAOYSA-NSynonyms
34DICHLORON(2(4ETHYL5((2((4METHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
34DICHLORON(2(4ETHYL5(2(4METHOXYANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC22H23Cl2N5O3Sc132919(10112521(31)144917(23)18(24)1214)272822(29)331320(30)26155716(322)8615h4912H3101113H212H3(H2531)(H2630)
MFCD05998916
ZINC000002867045
ZINC02867045
ZINC2867045
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