Vitas-M small molecule compound
4-[5-(3-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate
Catalog ID
STL056364
SMILES Cc1cccc(c1)N1C(=O)C2C(C1=O)C(N(O2)c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)OC(=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 C31H23N3O7 MW 549.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23N3O7/c1-19-7-5-10-22(17-19)32-29(35)26-27(20-13-15-25(16-14-20)40-31(37)21-8-3-2-4-9-21)33(41-28(26)30(32)36)23-11-6-12-24(18-23)34(38)39/h2-18,26-28H,1H3InChIKey
KEIOUNZRSOINTR-UHFFFAOYSA-NSynonyms
1022807-22-2(4(5(3METHYLPHENYL)2(3NITROPHENYL)46DIOXO3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZOATE
1022807222
4(2(3nitrophenyl)46dioxo5(mtolyl)hexahydro2Hpyrrolo(34d)isoxazol3yl)phenylbenzoate
4(5(3methylphenyl)2(3nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzoate
CC1=CC(=CC=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6
Cc1cccc(c1)N1C(=O)C2C(C1=O)C(N(O2)c1cccc(c1)(N+)(=O)(O))c1ccc(cc1)OC(=O)c1ccccc1
InChI=1SC31H23N3O7c119751022(1719)3229(35)2627(20131525(161420)4031(37)218324921)33(4128(26)30(32)36)231161224(1823)34(38)39h2182628H1H3
MFCD04175197
ZINC000102749036
ZINC000245246392
Check stock
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Check stock on Vitas-MAvailable files
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