Vitas-M small molecule compound
[5-(4-methoxyphenyl)-7-phenyl-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl](3-nitrophenyl)methanone
Catalog ID
STK222373
SMILES COc1ccc(cc1)C1CC(c2ccccc2)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 C25H21N5O4 MW 455.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O4/c1-34-21-12-10-18(11-13-21)22-15-23(17-6-3-2-4-7-17)29-25(26-16-27-29)28(22)24(31)19-8-5-9-20(14-19)30(32)33/h2-14,16,22-23H,15H2,1H3InChIKey
NATOKUDHFORUJM-UHFFFAOYSA-NSynonyms
(5(4METHOXYPHENYL)7PHENYL67DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN4(5H)YL)(3NITROPHENYL)METHANONE
(5(4methoxyphenyl)7phenyl67dihydro5H(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=C5
COc1ccc(cc1)C1CC(c2ccccc2)n2c(N1C(=O)c1cccc(c1)(N+)(=O)(O))ncn2
InChI=1SC25H21N5O4c13421121018(111321)221523(176324717)2925(26162729)28(22)24(31)1985920(1419)30(32)33h214162223H15H21H3
MFCD08671841
ZINC000010060299
ZINC000010060302
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