Vitas-M small molecule compound
2-[5-(4-methoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoic acid
Catalog ID
STL006041
SMILES COc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1C(=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 C25H20N2O6 MW 444.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O6/c1-32-17-13-11-15(12-14-17)26-23(28)20-21(18-9-5-6-10-19(18)25(30)31)27(33-22(20)24(26)29)16-7-3-2-4-8-16/h2-14,20-22H,1H3,(H,30,31)InChIKey
IJYVDSXEAORJEH-UHFFFAOYSA-NSynonyms
1024067-46-61024067466
2(5(4METHOXYPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)BENZOICACID
2(5(4methoxyphenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)(12)oxazol3yl)benzoicacid
2(5(4methoxyphenyl)46dioxo2phenylhexahydro2Hpyrrolo(34d)isoxazol3yl)benzoicacid
COC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=CC=C5C(=O)O
InChI=1SC25H20N2O6c13217131115(121417)2623(28)2021(189561019(18)25(30)31)27(3322(20)24(26)29)167324816h2142022H1H3(H3031)
MFCD05682796
ZINC000102760633
ZINC000245310349
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