Vitas-M small molecule compound
ethyl 7-{4-[(2-chlorobenzyl)oxy]phenyl}-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK134058
SMILES CCOC(=O)C1=C(Nc2n(C1c1ccc(cc1)OCc1ccccc1Cl)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 C27H23ClN4O3 MW 486.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4O3/c1-2-34-26(33)23-24(18-8-4-3-5-9-18)31-27-29-17-30-32(27)25(23)19-12-14-21(15-13-19)35-16-20-10-6-7-11-22(20)28/h3-15,17,25H,2,16H2,1H3,(H,29,30,31)InChIKey
XYIXSXNQANAFNH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)C5=CC=CC=C5
ETHYL7(4((2CHLOROBENZYL)OXY)PHENYL)5PHENYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(4((2CHLOROPHENYL)METHOXY)PHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(4(2CHLOROBENZYLOXY)PHENYL)5PHENYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H23ClN4O3c123426(33)2324(188435918)312729173032(27)25(23)19121421(151319)35162010671122(20)28h3151725H216H21H3(H293031)
MFCD04507613
ZINC000001418606
ZINC000001418607
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