Vitas-M small molecule compound
2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3,4-trifluorophenyl)acetamide
Catalog ID
STL365491
SMILES O=C(Nc1ccc(c(c1F)F)F)CSc1nnc(n1C)C(N1C(=O)COc2c1cccc2)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 C21H18F3N5O3S MW 477.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N5O3S/c1-11(29-14-5-3-4-6-15(14)32-9-17(29)31)20-26-27-21(28(20)2)33-10-16(30)25-13-8-7-12(22)18(23)19(13)24/h3-8,11H,9-10H2,1-2H3,(H,25,30)InChIKey
PBMVZFFOFHMUIC-UHFFFAOYSA-NSynonyms
2((4methyl5(1(3oxo14benzoxazin4yl)ethyl)124triazol3yl)sulfanyl)N(234trifluorophenyl)acetamide
2((4methyl5(1(3oxo23dihydro4H14benzoxazin4yl)ethyl)4H124triazol3yl)sulfanyl)N(234trifluorophenyl)acetamide
CC(C1=NN=C(N1C)SCC(=O)NC2=C(C(=C(C=C2)F)F)F)N3C(=O)COC4=CC=CC=C43
InChI=1SC21H18F3N5O3Sc111(2914534615(14)32917(29)31)20262721(28(20)2)331016(30)25138712(22)18(23)19(13)24h3811H910H212H3(H2530)
MFCD09476304
ZINC000015019056
ZINC000015019057
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