Vitas-M small molecule compound
N-(2-methoxyphenyl)-5-methyl-7-{4-[(4-methylbenzyl)oxy]phenyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK196724
SMILES COc1ccccc1NC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)OCc1ccc(cc1)C)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 C28H27N5O3 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3/c1-18-8-10-20(11-9-18)16-36-22-14-12-21(13-15-22)26-25(19(2)31-28-29-17-30-33(26)28)27(34)32-23-6-4-5-7-24(23)35-3/h4-15,17,26H,16H2,1-3H3,(H,32,34)(H,29,30,31)InChIKey
IJYRCBFDGOBKLJ-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3C(=C(N=C4N3NC=N4)C)C(=O)NC5=CC=CC=C5OC
InChI=1SC28H27N5O3c11881020(11918)163622141221(131522)2625(19(2)312829173033(26)28)27(34)3223645724(23)353h4151726H16H213H3(H3234)(H293031)
MFCD06757418
N(2METHOXYPHENYL)5METHYL7(4((4METHYLBENZYL)OXY)PHENYL)47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXAMIDE
N(2methoxyphenyl)5methyl7(4((4methylphenyl)methoxy)phenyl)17dihydro(124)triazolo(15a)pyrimidine6carboxamide
ZINC000009934415
ZINC000009934416
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