Vitas-M small molecule compound
N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK120946
SMILES O=C(Nc1c(Cl)cc(cc1Cl)Cl)CSc1nnc(n1C)C(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 C20H18Cl3N5O2S MW 498.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl3N5O2S/c1-11(24-19(30)12-6-4-3-5-7-12)18-26-27-20(28(18)2)31-10-16(29)25-17-14(22)8-13(21)9-15(17)23/h3-9,11H,10H2,1-2H3,(H,24,30)(H,25,29)InChIKey
RKFWMUIQGBFUNJ-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl)NC(=O)C3=CC=CC=C3
InChI=1SC20H18Cl3N5O2Sc111(2419(30)126435712)18262720(28(18)2)311016(29)251714(22)813(21)915(17)23h3911H10H212H3(H2430)(H2529)
MFCD04212683
N((1R)1(4METHYL5((2OXO2((246TRICHLOROPHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
N((1S)1(4METHYL5((2OXO2((246TRICHLOROPHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
N(1(4METHYL5((2OXO2((246TRICHLOROPHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
N(1(4METHYL5(2OXO2(246TRICHLOROANILINO)ETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
ZINC000002840998
ZINC000002840999
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