Vitas-M small molecule compound
3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]benzamide
Catalog ID
STK302508
SMILES Cc1cc(Oc2cc(NC(=O)c3cccc(c3)Cn3nc(c(c3C)[N+](=O)[O-])C)cc(c2)[N+](=O)[O-])c(c(c1)C)C
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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 C28H27N5O6 MW 529.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O6/c1-16-9-17(2)18(3)26(10-16)39-25-13-23(12-24(14-25)32(35)36)29-28(34)22-8-6-7-21(11-22)15-31-20(5)27(33(37)38)19(4)30-31/h6-14H,15H2,1-5H3,(H,29,34)InChIKey
SZCMECYWKLMUML-UHFFFAOYSA-NSynonyms
512825-93-33((35dimethyl4nitro1Hpyrazol1yl)methyl)N(3nitro5(235trimethylphenoxy)phenyl)benzamide
3((35DIMETHYL4NITROPYRAZOL1YL)METHYL)N(3NITRO5(235TRIMETHYLPHENOXY)PHENYL)BENZAMIDE
3((4NITRO35DIMETHYL1HPYRAZOL1YL)METHYL)N(3NITRO5(235TRIMETHYLPHENOXY)PHENYL)BENZAMIDE
512825933
CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)(N+)(=O)(O))NC(=O)C3=CC(=CC=C3)CN4C(=C(C(=N4)C)(N+)(=O)(O))C)C)C
Cc1cc(Oc2cc(NC(=O)c3cccc(c3)Cn3nc(c(c3C)(N+)(=O)(O))C)cc(c2)(N+)(=O)(O))c(c(c1)C)C
InChI=1SC28H27N5O6c116917(2)18(3)26(1016)39251323(1224(1425)32(35)36)2928(34)2286721(1122)153120(5)27(33(37)38)19(4)3031h614H15H215H3(H2934)
MFCD03468746
ZINC000002735632
ZINC02735632
ZINC2735632
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.