Vitas-M small molecule compound
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129654
SMILES O=C(Cn1nnc(c1C)C(=O)Nc1cccc(c1)C(F)(F)F)Nc1ccc2c(c1)OCCO2
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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 C21H18F3N5O4 MW 461.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N5O4/c1-12-19(20(31)26-14-4-2-3-13(9-14)21(22,23)24)27-28-29(12)11-18(30)25-15-5-6-16-17(10-15)33-8-7-32-16/h2-6,9-10H,7-8,11H2,1H3,(H,25,30)(H,26,31)InChIKey
QYZIIUQVQBELIT-UHFFFAOYSA-NSynonyms
1(2(23dihydro14benzodioxin6ylamino)2oxoethyl)5methylN(3(trifluoromethyl)phenyl)1H123triazole4carboxamide
1(2(23dihydro14benzodioxin6ylamino)2oxoethyl)5methylN(3(trifluoromethyl)phenyl)triazole4carboxamide
CC1=C(N=NN1CC(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI=1SC21H18F3N5O4c11219(20(31)261442313(914)21(2223)24)272829(12)1118(30)2515561617(1015)33873216h26910H7811H21H3(H2530)(H2631)
MFCD20747506
ZINC000067322528
ZINC67322528
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