Vitas-M small molecule compound
2,3-dimethoxy-6-[5-(4-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoic acid
Catalog ID
STK555082
SMILES COc1ccc(c(c1OC)C(=O)O)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)[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 C26H21N3O9 MW 519.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O9/c1-36-18-13-12-17(19(26(32)33)22(18)37-2)21-20-23(38-28(21)15-6-4-3-5-7-15)25(31)27(24(20)30)14-8-10-16(11-9-14)29(34)35/h3-13,20-21,23H,1-2H3,(H,32,33)InChIKey
KYEKUJPSDLTDEW-UHFFFAOYSA-NSynonyms
1023222-20-91023222209
23DIMETHOXY6(5(4NITROPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)BENZOICACID
23dimethoxy6(5(4nitrophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)(12)oxazol3yl)benzoicacid
23dimethoxy6(5(4nitrophenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)isoxazol3yl)benzoicacid
COC1=C(C(=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)(N+)(=O)(O))ON2C5=CC=CC=C5)C(=O)O)OC
COc1ccc(c(c1OC)C(=O)O)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC26H21N3O9c13618131217(19(26(32)33)22(18)372)212023(3828(21)156435715)25(31)27(24(20)30)1481016(11914)29(34)35h313202123H12H3(H3233)
MFCD04008794
ZINC000013751884
ZINC000102725736
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.