Vitas-M small molecule compound
4-[5-(4-methylphenyl)-2-(4-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate
Catalog ID
STL051516
SMILES Cc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OC(=O)c1ccccc1)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 C31H23N3O7 MW 549.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23N3O7/c1-19-7-11-22(12-8-19)32-29(35)26-27(20-9-17-25(18-10-20)40-31(37)21-5-3-2-4-6-21)33(41-28(26)30(32)36)23-13-15-24(16-14-23)34(38)39/h2-18,26-28H,1H3InChIKey
WHORAWYKUZATPJ-UHFFFAOYSA-NSynonyms
1022653-46-8(4(5(4METHYLPHENYL)2(4NITROPHENYL)46DIOXO3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZOATE
1022653468
4(2(4nitrophenyl)46dioxo5(ptolyl)hexahydro2Hpyrrolo(34d)isoxazol3yl)phenylbenzoate
4(5(4methylphenyl)2(4nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzoate
CC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6
Cc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OC(=O)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC31H23N3O7c11971122(12819)3229(35)2627(2091725(181020)4031(37)215324621)33(4128(26)30(32)36)23131524(161423)34(38)39h2182628H1H3
MFCD04187650
ZINC000102754530
ZINC000245247577
Check stock
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Check stock on Vitas-MAvailable files
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