Vitas-M small molecule compound
2-({4-[2-chloro-5-(trifluoromethyl)phenyl]-5-(quinolin-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methyl-5-nitrophenyl)acetamide
Catalog ID
STK687073
SMILES O=C(Nc1cc(ccc1C)[N+](=O)[O-])CSc1nnc(n1c1cc(ccc1Cl)C(F)(F)F)c1ccc2c(n1)cccc2
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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 C27H18ClF3N6O3S MW 598.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClF3N6O3S/c1-15-6-9-18(37(39)40)13-22(15)33-24(38)14-41-26-35-34-25(21-11-7-16-4-2-3-5-20(16)32-21)36(26)23-12-17(27(29,30)31)8-10-19(23)28/h2-13H,14H2,1H3,(H,33,38)InChIKey
UXQDOQXZPHTDDZ-UHFFFAOYSA-NSynonyms
889949-12-62((4(2CHLORO5(TRIFLUOROMETHYL)PHENYL)5(QUINOLIN2YL)4H124TRIAZOL3YL)SULFANYL)N(2METHYL5NITROPHENYL)ACETAMIDE
2((4(2CHLORO5(TRIFLUOROMETHYL)PHENYL)5QUINOLIN2YL124TRIAZOL3YL)SULFANYL)N(2METHYL5NITROPHENYL)ACETAMIDE
889949126
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)C4=NC5=CC=CC=C5C=C4
InChI=1SC27H18ClF3N6O3Sc1156918(37(39)40)1322(15)3324(38)144126353425(2111716423520(16)3221)36(26)231217(27(2930)31)81019(23)28h213H14H21H3(H3338)
MFCD06617311
O=C(Nc1cc(ccc1C)(N+)(=O)(O))CSc1nnc(n1c1cc(ccc1Cl)C(F)(F)F)c1ccc2c(n1)cccc2
ZINC000098008160
ZINC98008160
Check stock
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Check stock on Vitas-MAvailable files
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