Vitas-M small molecule compound
N-(1-{5-[(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)benzamide
Catalog ID
STK114208
SMILES O=C(Nc1cc(ccc1Cl)C(F)(F)F)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 C21H19ClF3N5O2S MW 497.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClF3N5O2S/c1-12(26-19(32)13-6-4-3-5-7-13)18-28-29-20(30(18)2)33-11-17(31)27-16-10-14(21(23,24)25)8-9-15(16)22/h3-10,12H,11H2,1-2H3,(H,26,32)(H,27,31)InChIKey
TVBWLLILFSMIRK-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)C3=CC=CC=C3
InChI=1SC21H19ClF3N5O2Sc112(2619(32)136435713)18282920(30(18)2)331117(31)27161014(21(2324)25)8915(16)22h31012H11H212H3(H2632)(H2731)
MFCD03865182
N(1(5((2((2CHLORO5(TRIFLUOROMETHYL)PHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
N(1(5((2(2CHLORO5(TRIFLUOROMETHYL)ANILINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
N(1(5(2(2CHLORO5(TRIFLUOROMETHYL)ANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
ZINC000008438189
ZINC000008438190
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