Vitas-M small molecule compound
ethyl 7-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STL420536
SMILES CCOC(=O)C1=C(Nc2n(C1c1ccc(c(c1)OCC)OCc1cccc(c1)C)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 C30H30N4O4 MW 510.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O4/c1-4-36-25-17-23(14-15-24(25)38-18-21-11-9-10-20(3)16-21)28-26(29(35)37-5-2)27(22-12-7-6-8-13-22)33-30-31-19-32-34(28)30/h6-17,19,28H,4-5,18H2,1-3H3,(H,31,32,33)InChIKey
XARLEIKCVZZNPC-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2NC=N3)C4=CC=CC=C4)C(=O)OCC)OCC5=CC=CC(=C5)C
ethyl7(3ethoxy4((3methylbenzyl)oxy)phenyl)5phenyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
ETHYL7(3ETHOXY4((3METHYLPHENYL)METHOXY)PHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(3ETHOXY4(3METHYLBENZYLOXY)PHENYL)5PHENYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
InChI=1SC30H30N4O4c1436251723(141524(25)3818211191020(3)1621)2826(29(35)3752)27(22127681322)333031193234(28)30h6171928H4518H213H3(H313233)
MFCD04485372
ZINC000016957251
ZINC000016957252
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