Vitas-M small molecule compound
5-(naphthalen-1-yl)-3-(4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STL237294
SMILES O=C1C2C(C(=O)N1c1cccc3c1cccc3)ON=C2c1ccc(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 C21H13N3O5 MW 387.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13N3O5/c25-20-17-18(13-8-10-14(11-9-13)24(27)28)22-29-19(17)21(26)23(20)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17,19HInChIKey
DQEHAXPIEWNUFB-UHFFFAOYSA-NSynonyms
(3aR6aS)5(naphthalen1yl)3(4nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
5(naphthalen1yl)3(4nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
5NAPHTHALEN1YL3(4NITROPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
5NAPHTHALEN1YL3(4NITROPHENYL)3AHPYRROLO(34D)ISOXAZOLE46(5H6AH)DIONE
C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4C(C3=O)ON=C4C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC21H13N3O5c25201718(1381014(11913)24(27)28)222919(17)21(26)23(20)1673512412615(12)16h1111719H
MFCD07208119
O=C1(C@H)2(C@@H)(C(=O)N1c1cccc3c1cccc3)ON=C2c1ccc(cc1)(N+)(=O)(O)
O=C1C2C(C(=O)N1c1cccc3c1cccc3)ON=C2c1ccc(cc1)(N+)(=O)(O)
ZINC000100845934
ZINC000101344211
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.