Vitas-M small molecule compound
[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl](3-nitrophenyl)methanone
Catalog ID
STK222467
SMILES COc1ccc(cc1)C1CC(c2ccc(cc2)Cl)N(c2n1ncn2)C(=O)c1cccc(c1)[N+](=O)[O-]
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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 C25H20ClN5O4 MW 489.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN5O4/c1-35-21-11-7-17(8-12-21)23-14-22(16-5-9-19(26)10-6-16)29(25-27-15-28-30(23)25)24(32)18-3-2-4-20(13-18)31(33)34/h2-13,15,22-23H,14H2,1H3InChIKey
AYVHQCQJMSUCMJ-UHFFFAOYSA-NSynonyms
(5(4CHLOROPHENYL)7(4METHOXYPHENYL)67DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN4(5H)YL)(3NITROPHENYL)METHANONE
(5(4chlorophenyl)7(4methoxyphenyl)67dihydro5H(124)triazolo(15a)pyrimidin4yl)(3nitrophenyl)methanone
COC1=CC=C(C=C1)C2CC(N(C3=NC=NN23)C(=O)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=C(C=C5)Cl
COc1ccc(cc1)C1CC(c2ccc(cc2)Cl)N(c2n1ncn2)C(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC25H20ClN5O4c1352111717(81221)231422(165919(26)10616)29(2527152830(23)25)24(32)1832420(1318)31(33)34h213152223H14H21H3
MFCD08671893
ZINC000010060355
ZINC000010060358
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Check stock on Vitas-MAvailable files
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