Vitas-M small molecule compound
(2E)-3-(3,4-dimethoxyphenyl)-N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)prop-2-enamide
Catalog ID
STL050912
SMILES COc1cc(/C=C/C(=O)Nc2nn3c(=NC(=O)CC3c3ccccc3)[nH]2)ccc1OC
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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/c1-30-17-10-8-14(12-18(17)31-2)9-11-19(28)23-21-25-22-24-20(29)13-16(27(22)26-21)15-6-4-3-5-7-15/h3-12,16H,13H2,1-2H3,(H2,23,24,25,26,28,29)/b11-9+InChIKey
YOUKYWBKIJXVEI-PKNBQFBNSA-NSynonyms
714247-84-4(2E)3(34dimethoxyphenyl)N(5oxo7phenyl3567tetrahydro(124)triazolo(15a)pyrimidin2yl)prop2enamide
(E)3(34DIMETHOXYPHENYL)N(5OXO7PHENYL67DIHYDRO1H(124)TRIAZOLO(15A)PYRIMIDIN2YL)PROP2ENAMIDE
714247844
COC1=C(C=C(C=C1)C=CC(=O)NC2=NC3=NC(=O)CC(N3N2)C4=CC=CC=C4)OC
COc1cc(C=CC(=O)Nc2nn3c(=NC(=O)CC3c3ccccc3)(nH)2)ccc1OC
InChI=1SC22H21N5O4c1301710814(1218(17)312)91119(28)232125222420(29)1316(27(22)2621)156435715h31216H13H212H3(H2232425262829)b119+
MFCD05731436
ZINC000002416906
ZINC000002416908
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