Vitas-M small molecule compound
7-(difluoromethyl)-5-methyl-N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Catalog ID
STK960639
SMILES Cc1nc2nc(nn2c(c1)C(F)F)C(=O)Nc1cc(OCC(F)(F)F)cc(c1)[N+](=O)[O-]
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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 C16H11F5N6O4 MW 446.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11F5N6O4/c1-7-2-11(12(17)18)26-15(22-7)24-13(25-26)14(28)23-8-3-9(27(29)30)5-10(4-8)31-6-16(19,20)21/h2-5,12H,6H2,1H3,(H,23,28)InChIKey
ALDSTRLGYORZNK-UHFFFAOYSA-NSynonyms
445246-07-1445246071
7(difluoromethyl)5methylN(3nitro5(222trifluoroethoxy)phenyl)(124)triazolo(15a)pyrimidine2carboxamide
CC1=NC2=NC(=NN2C(=C1)C(F)F)C(=O)NC3=CC(=CC(=C3)OCC(F)(F)F)(N+)(=O)(O)
Cc1nc2nc(nn2c(c1)C(F)F)C(=O)Nc1cc(OCC(F)(F)F)cc(c1)(N+)(=O)(O)
InChI=1SC16H11F5N6O4c17211(12(17)18)2615(227)2413(2526)14(28)23839(27(29)30)510(48)31616(1920)21h2512H6H21H3(H2328)
MFCD02175557
ZINC000001071472
ZINC01071472
ZINC1071472
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