Vitas-M small molecule compound
[7-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl](3-nitrophenyl)methanone
Catalog ID
STK222545
SMILES COc1ccc(cc1)C1CC(c2ccccc2OC)n2c(N1C(=O)c1cccc(c1)[N+](=O)[O-])ncn2
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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 C26H23N5O5 MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O5/c1-35-20-12-10-17(11-13-20)22-15-23(21-8-3-4-9-24(21)36-2)30-26(27-16-28-30)29(22)25(32)18-6-5-7-19(14-18)31(33)34/h3-14,16,22-23H,15H2,1-2H3InChIKey
KYWMMYWKNSWQLU-UHFFFAOYSA-NSynonyms
(7(2METHOXYPHENYL)5(4METHOXYPHENYL)67DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN4(5H)YL)(3NITROPHENYL)METHANONE
(7(2methoxyphenyl)5(4methoxyphenyl)67dihydro5H(124)triazolo(15a)pyrimidin4yl)(3nitrophenyl)methanone
COC1=CC=C(C=C1)C2CC(N3C(=NC=N3)N2C(=O)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CC=C5OC
COc1ccc(cc1)C1CC(c2ccccc2OC)n2c(N1C(=O)c1cccc(c1)(N+)(=O)(O))ncn2
InChI=1SC26H23N5O5c13520121017(111320)221523(21834924(21)362)3026(27162830)29(22)25(32)1865719(1418)31(33)34h314162223H15H212H3
MFCD08671933
ZINC000010060463
ZINC000010060466
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