Vitas-M small molecule compound
4-{6-[(2-ethoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
Catalog ID
STK884798
SMILES CCOc1ccccc1NC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)C(=O)O)ncn2
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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 C22H21N5O4 MW 419.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O4/c1-3-31-17-7-5-4-6-16(17)26-20(28)18-13(2)25-22-23-12-24-27(22)19(18)14-8-10-15(11-9-14)21(29)30/h4-12,19H,3H2,1-2H3,(H,26,28)(H,29,30)(H,23,24,25)InChIKey
MKCMQWHCBWJLHV-UHFFFAOYSA-NSynonyms
4(6((2ethoxyphenyl)carbamoyl)5methyl17dihydro(124)triazolo(15a)pyrimidin7yl)benzoicacid
4(6((2ethoxyphenyl)carbamoyl)5methyl47dihydro(124)triazolo(15a)pyrimidin7yl)benzoicacid
CCOC1=CC=CC=C1NC(=O)C2=C(N=C3N=CNN3C2C4=CC=C(C=C4)C(=O)O)C
InChI=1SC22H21N5O4c133117754616(17)2620(28)1813(2)252223122427(22)19(18)1481015(11914)21(29)30h41219H3H212H3(H2628)(H2930)(H232425)
MFCD08820253
ZINC000040485106
ZINC000040485108
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