Vitas-M small molecule compound

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

Catalog ID
STL051435
SMILES CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1[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 C27H25N3O6 MW 487.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O6/c1-2-3-17-35-20-15-13-18(14-16-20)28-26(31)23-24(21-11-7-8-12-22(21)30(33)34)29(36-25(23)27(28)32)19-9-5-4-6-10-19/h4-16,23-25H,2-3,17H2,1H3
InChIKey
DDQWRVUFIHYGNV-UHFFFAOYSA-N
Synonyms
1024053-54-0
1024053540
5(4BUTOXYPHENYL)3(2NITROPHENYL)2PHENYL3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
5(4butoxyphenyl)3(2nitrophenyl)2phenyldihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
5(4butoxyphenyl)3(2nitrophenyl)2phenyldihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
CCCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=CC=C5(N+)(=O)(O)
CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1(N+)(=O)(O)
InChI=1SC27H25N3O6c123173520151318(141620)2826(31)2324(2111781222(21)30(33)34)29(3625(23)27(28)32)1995461019h4162325H2317H21H3
MFCD05683096
ZINC000102760728
ZINC000245245558

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Available files

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