Vitas-M small molecule compound
ethyl 4-({[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbonyl}amino)benzoate
Catalog ID
STL091337
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1=C(C)Nc2n(C1c1cccc(c1)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/c1-3-31-21(30)14-7-9-16(10-8-14)26-20(29)18-13(2)25-22-23-12-24-27(22)19(18)15-5-4-6-17(28)11-15/h4-12,19,28H,3H2,1-2H3,(H,26,29)(H,23,24,25)InChIKey
YAXRTOOJUBFEFC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=C3N=CNN3C2C4=CC(=CC=C4)O)C
ethyl4(((7(3hydroxyphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidin6yl)carbonyl)amino)benzoate
ETHYL4((7(3HYDROXYPHENYL)5METHYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBONYL)AMINO)BENZOATE
InChI=1SC22H21N5O4c133121(30)147916(10814)2620(29)1813(2)252223122427(22)19(18)1554617(28)1115h4121928H3H212H3(H2629)(H232425)
MFCD04065950
ZINC000000944376
ZINC000000944377
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