Vitas-M small molecule compound
ethyl 7-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STL420535
SMILES CCOC(=O)C1=C(Nc2n(C1c1ccc(c(c1)OC)OCc1ccc(cc1)Cl)ncn2)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 C28H25ClN4O4 MW 516.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN4O4/c1-3-36-27(34)24-25(19-7-5-4-6-8-19)32-28-30-17-31-33(28)26(24)20-11-14-22(23(15-20)35-2)37-16-18-9-12-21(29)13-10-18/h4-15,17,26H,3,16H2,1-2H3,(H,30,31,32)InChIKey
ZXEFAFNIJUWXEP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C2N=CNN2C1C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)OC)C5=CC=CC=C5
ethyl7(4((4chlorobenzyl)oxy)3methoxyphenyl)5phenyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
ETHYL7(4((4CHLOROPHENYL)METHOXY)3METHOXYPHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(4(4CHLOROBENZYLOXY)3METHOXYPHENYL)5PHENYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H25ClN4O4c133627(34)2425(197546819)322830173133(28)26(24)20111422(23(1520)352)37161891221(29)131018h4151726H316H212H3(H303132)
MFCD04542696
ZINC000001418586
ZINC000001418587
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