Vitas-M small molecule compound

3-(naphthalen-1-yl)-5-(3-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

Catalog ID
STK997616
SMILES O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)C2C1C(N(O2)c1ccccc1)c1cccc2c1cccc2

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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 C27H19N3O5 MW 465.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O5/c31-26-23-24(22-15-6-9-17-8-4-5-14-21(17)22)29(18-10-2-1-3-11-18)35-25(23)27(32)28(26)19-12-7-13-20(16-19)30(33)34/h1-16,23-25H
InChIKey
HXXMZGFZVHQYJX-UHFFFAOYSA-N
Synonyms
1022571-95-4
1022571954
3(naphthalen1yl)5(3nitrophenyl)2phenyldihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
3(naphthalen1yl)5(3nitrophenyl)2phenyldihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
3NAPHTHALEN1YL5(3NITROPHENYL)2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
3NAPHTHALEN1YL5(3NITROPHENYL)2PHENYLDIHYDRO2HPYRROLO(34D)ISOXAZOLE46(3H5H)DIONE
C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CC6=CC=CC=C65
InChI=1SC27H19N3O5c31262324(221569178451421(17)22)29(18102131118)3525(23)27(32)28(26)191271320(1619)30(33)34h1162325H
MFCD03672781
O=C1N(c2cccc(c2)(N+)(=O)(O))C(=O)C2C1C(N(O2)c1ccccc1)c1cccc2c1cccc2
ZINC000009075733
ZINC000229967721

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.