Vitas-M small molecule compound
[7-(4-chlorophenyl)-5-(4-methoxyphenyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl](3-nitrophenyl)methanone
Catalog ID
STK227755
SMILES COc1ccc(cc1)C1CC(c2ccc(cc2)Cl)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 C25H20ClN5O4 MW 489.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN5O4/c1-35-21-11-7-16(8-12-21)22-14-23(17-5-9-19(26)10-6-17)30-25(27-15-28-30)29(22)24(32)18-3-2-4-20(13-18)31(33)34/h2-13,15,22-23H,14H2,1H3InChIKey
QHTACXMXULEXMG-UHFFFAOYSA-NSynonyms
(7(4CHLOROPHENYL)5(4METHOXYPHENYL)67DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN4(5H)YL)(3NITROPHENYL)METHANONE
(7(4chlorophenyl)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=C(C=C5)Cl
COc1ccc(cc1)C1CC(c2ccc(cc2)Cl)n2c(N1C(=O)c1cccc(c1)(N+)(=O)(O))ncn2
InChI=1SC25H20ClN5O4c1352111716(81221)221423(175919(26)10617)3025(27152830)29(22)24(32)1832420(1318)31(33)34h213152223H14H21H3
MFCD08671871
ZINC000009288963
ZINC000009288970
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