Vitas-M small molecule compound
4-[5-benzyl-2-(4-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate
Catalog ID
STL056603
SMILES O=C(c1ccccc1)Oc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccc(cc1)[N+](=O)[O-])Cc1ccccc1
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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/c35-29-26-27(21-11-17-25(18-12-21)40-31(37)22-9-5-2-6-10-22)33(23-13-15-24(16-14-23)34(38)39)41-28(26)30(36)32(29)19-20-7-3-1-4-8-20/h1-18,26-28H,19H2InChIKey
NHTXPMUVVKFOGS-UHFFFAOYSA-NSynonyms
1024256-49-2(4(5BENZYL2(4NITROPHENYL)46DIOXO3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)PHENYL)BENZOATE
1024256492
4(5benzyl2(4nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)(12)oxazol3yl)phenylbenzoate
4(5benzyl2(4nitrophenyl)46dioxohexahydro2Hpyrrolo(34d)isoxazol3yl)phenylbenzoate
C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6
InChI=1SC31H23N3O7c35292627(21111725(181221)4031(37)2295261022)33(23131524(161423)34(38)39)4128(26)30(36)32(29)19207314820h1182628H19H2
MFCD04189782
O=C(c1ccccc1)Oc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccc(cc1)(N+)(=O)(O))Cc1ccccc1
ZINC000097954730
ZINC000102755389
Check stock
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Check stock on Vitas-MAvailable files
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