Vitas-M small molecule compound
ethyl 7-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK130190
SMILES CCOC(=O)C1=C(Nc2n(C1c1ccc(c(c1)OCC)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 C29H27ClN4O4 MW 531.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN4O4/c1-3-36-24-16-20(14-15-23(24)38-17-21-12-8-9-13-22(21)30)27-25(28(35)37-4-2)26(19-10-6-5-7-11-19)33-29-31-18-32-34(27)29/h5-16,18,27H,3-4,17H2,1-2H3,(H,31,32,33)InChIKey
NFKPYXNQCDOUOE-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2NC=N3)C4=CC=CC=C4)C(=O)OCC)OCC5=CC=CC=C5Cl
ETHYL7(4((2CHLOROBENZYL)OXY)3ETHOXYPHENYL)5PHENYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(4((2CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(4(2CHLOROBENZYLOXY)3ETHOXYPHENYL)5PHENYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H27ClN4O4c1336241620(141523(24)38172112891322(21)30)2725(28(35)3742)26(19106571119)332931183234(27)29h5161827H3417H212H3(H313233)
MFCD04504592
ZINC000003770925
ZINC000003770926
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