Vitas-M small molecule compound

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

Catalog ID
STK549554
SMILES CCCCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)[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 C29H29N3O6 MW 515.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O6/c1-2-3-4-8-18-37-24-16-14-21(15-17-24)30-28(33)25-26(20-10-9-13-23(19-20)32(35)36)31(38-27(25)29(30)34)22-11-6-5-7-12-22/h5-7,9-17,19,25-27H,2-4,8,18H2,1H3
InChIKey
WNUSWKUQRMNRRP-UHFFFAOYSA-N
Synonyms
1022346-66-2
1022346662
5(4(hexyloxy)phenyl)3(3nitrophenyl)2phenyldihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
5(4(hexyloxy)phenyl)3(3nitrophenyl)2phenyldihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
5(4HEXOXYPHENYL)3(3NITROPHENYL)2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
CCCCCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)(N+)(=O)(O)
CCCCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC29H29N3O6c12348183724161421(151724)3028(33)2526(201091323(1920)32(35)36)31(3827(25)29(30)34)22116571222h57917192527H24818H21H3
MFCD03673336
ZINC000102707918
ZINC000239432818

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Available files

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