Vitas-M small molecule compound
4-[3-(4,5-dimethoxy-2-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoic acid
Catalog ID
STL053835
SMILES COc1cc(c(cc1OC)[N+](=O)[O-])C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)C(=O)O)c1ccccc1
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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/c1-36-19-12-17(18(29(34)35)13-20(19)37-2)22-21-23(38-28(22)16-6-4-3-5-7-16)25(31)27(24(21)30)15-10-8-14(9-11-15)26(32)33/h3-13,21-23H,1-2H3,(H,32,33)InChIKey
WDNXYEDIYPHMHU-UHFFFAOYSA-NSynonyms
1022822-81-61022822816
4(3(45DIMETHOXY2NITROPHENYL)46DIOXO2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)BENZOICACID
4(3(45dimethoxy2nitrophenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)benzoicacid
4(3(45DIMETHOXY2NITROPHENYL)46DIOXO2PHENYLHEXAHYDRO5HPYRROLO(34D)ISOXAZOL5YL)BENZOICACID
4(3(45dimethoxy2nitrophenyl)46dioxo2phenyltetrahydro2Hpyrrolo(34d)isoxazol5(3H)yl)benzoicacid
COC1=C(C=C(C(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)ON2C5=CC=CC=C5)(N+)(=O)(O))OC
COc1cc(c(cc1OC)(N+)(=O)(O))C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)C(=O)O)c1ccccc1
InChI=1SC26H21N3O9c136191217(18(29(34)35)1320(19)372)222123(3828(22)166435716)25(31)27(24(21)30)1510814(91115)26(32)33h3132123H12H3(H3233)
MFCD05689995
ZINC000009360589
ZINC000137926115
Check stock
See real-time availability and sample size for STL053835 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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