Vitas-M small molecule compound
4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoic acid
Catalog ID
STK661223
SMILES COc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NC(=O)CCC(=O)O)c1ccccc1
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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/c1-31-16-9-7-15(8-10-16)18-13-17(14-5-3-2-4-6-14)23-22-25-21(26-27(18)22)24-19(28)11-12-20(29)30/h2-10,13,18H,11-12H2,1H3,(H,29,30)(H2,23,24,25,26,28)InChIKey
LCNZAUCAPFHYBC-UHFFFAOYSA-NSynonyms
840458-18-64((7(4METHOXYPHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)AMINO)4OXOBUTANOICACID
4((7(4methoxyphenyl)5phenyl37dihydro(124)triazolo(15a)pyrimidin2yl)amino)4oxobutanoicacid
840458186
COC1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)NC(=O)CCC(=O)O)C4=CC=CC=C4
COc1ccc(cc1)C1C=C(N=c2n1nc((nH)2)NC(=O)CCC(=O)O)c1ccccc1
InChI=1SC22H21N5O4c131169715(81016)181317(145324614)23222521(2627(18)22)2419(28)111220(29)30h2101318H1112H21H3(H2930)(H22324252628)
MFCD18169340
ZINC000002256908
ZINC000002256909
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