Vitas-M small molecule compound
2-ethoxy-4-[5-methyl-6-(pyridin-2-ylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl benzoate
Catalog ID
STL091351
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1)C1C(=C(C)Nc2n1ncn2)C(=O)Nc1ccccn1
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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 C27H24N6O4 MW 496.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N6O4/c1-3-36-21-15-19(12-13-20(21)37-26(35)18-9-5-4-6-10-18)24-23(17(2)31-27-29-16-30-33(24)27)25(34)32-22-11-7-8-14-28-22/h4-16,24H,3H2,1-2H3,(H,28,32,34)(H,29,30,31)InChIKey
PGUFDJGRCHOZLL-UHFFFAOYSA-NSynonyms
477292-99-2(2ETHOXY4(5METHYL6(PYRIDIN2YLCARBAMOYL)17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN7YL)PHENYL)BENZOATE
2ethoxy4(5methyl6(pyridin2ylcarbamoyl)47dihydro(124)triazolo(15a)pyrimidin7yl)phenylbenzoate
477292992
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)NC4=CC=CC=N4)OC(=O)C5=CC=CC=C5
InChI=1SC27H24N6O4c1336211519(121320(21)3726(35)1895461018)2423(17(2)312729163033(24)27)25(34)32221178142822h41624H3H212H3(H283234)(H293031)
MFCD02130101
ZINC000009404423
ZINC000009404970
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