Vitas-M small molecule compound
ethyl 7-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK138202
SMILES CCOC(=O)C1=C(Nc2n(C1c1ccc(c(c1)OC)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 C29H28N4O4 MW 496.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O4/c1-4-36-28(34)25-26(21-11-6-5-7-12-21)32-29-30-18-31-33(29)27(25)22-13-14-23(24(16-22)35-3)37-17-20-10-8-9-19(2)15-20/h5-16,18,27H,4,17H2,1-3H3,(H,30,31,32)InChIKey
AJANWYJJVGZLAY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C2N=CNN2C1C3=CC(=C(C=C3)OCC4=CC=CC(=C4)C)OC)C5=CC=CC=C5
ETHYL7(3METHOXY4((3METHYLBENZYL)OXY)PHENYL)5PHENYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(3METHOXY4((3METHYLPHENYL)METHOXY)PHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(3METHOXY4(3METHYLBENZYLOXY)PHENYL)5PHENYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H28N4O4c143628(34)2526(21116571221)322930183133(29)27(25)22131423(24(1622)353)371720108919(2)1520h5161827H417H213H3(H303132)
MFCD04542881
ZINC000001418614
ZINC000001418615
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