Vitas-M small molecule compound
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129754
SMILES O=C(Cn1nnc(c1C)C(=O)Nc1cccc(c1)C(F)(F)F)Nc1ccc2c(c1)OCO2
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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 C20H16F3N5O4 MW 447.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3N5O4/c1-11-18(19(30)25-13-4-2-3-12(7-13)20(21,22)23)26-27-28(11)9-17(29)24-14-5-6-15-16(8-14)32-10-31-15/h2-8H,9-10H2,1H3,(H,24,29)(H,25,30)InChIKey
UKRSQOVTTGQYPN-UHFFFAOYSA-NSynonyms
1(2(13benzodioxol5ylamino)2oxoethyl)5methylN(3(trifluoromethyl)phenyl)1H123triazole4carboxamide
1(2(13benzodioxol5ylamino)2oxoethyl)5methylN(3(trifluoromethyl)phenyl)triazole4carboxamide
CC1=C(N=NN1CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI=1SC20H16F3N5O4c11118(19(30)251342312(713)20(2122)23)262728(11)917(29)2414561516(814)32103115h28H910H21H3(H2429)(H2530)
MFCD20747829
ZINC000067322847
ZINC67322847
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