Vitas-M small molecule compound
7-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK189904
SMILES CCOc1cc(ccc1OCc1ccccc1F)C1C(=C(C)Nc2n1ncn2)C(=O)Nc1ccc(cc1)OC
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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 C29H28FN5O4 MW 529.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28FN5O4/c1-4-38-25-15-19(9-14-24(25)39-16-20-7-5-6-8-23(20)30)27-26(18(2)33-29-31-17-32-35(27)29)28(36)34-21-10-12-22(37-3)13-11-21/h5-15,17,27H,4,16H2,1-3H3,(H,34,36)(H,31,32,33)InChIKey
UQULCUJUWLWJMY-UHFFFAOYSA-NSynonyms
7(3ETHOXY4((2FLUOROBENZYL)OXY)PHENYL)N(4METHOXYPHENYL)5METHYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXAMIDE
7(3ethoxy4((2fluorophenyl)methoxy)phenyl)N(4methoxyphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2NC=N3)C)C(=O)NC4=CC=C(C=C4)OC)OCC5=CC=CC=C5F
InChI=1SC29H28FN5O4c1438251519(91424(25)391620756823(20)30)2726(18(2)332931173235(27)29)28(36)3421101222(373)131121h5151727H416H213H3(H3436)(H313233)
MFCD08680150
ZINC000098045591
ZINC000098045592
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