Vitas-M small molecule compound

8-butyl-5-methyl-10-[(4-nitrophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione

Catalog ID
STK627415
SMILES CCCCN1C(=O)C2C(C1=O)C(N1C2C=C(C)c2c1cccc2)C(=O)c1ccc(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 C26H25N3O5 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5/c1-3-4-13-27-25(31)21-20-14-15(2)18-7-5-6-8-19(18)28(20)23(22(21)26(27)32)24(30)16-9-11-17(12-10-16)29(33)34/h5-12,14,20-23H,3-4,13H2,1-2H3
InChIKey
JIOXPDIBCVUSDH-UHFFFAOYSA-N
Synonyms
1005140-10-2
1005140102
8butyl5methyl10((4nitrophenyl)carbonyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
8butyl5methyl10(4nitrobenzoyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
CCCCN1C(=O)C2C(C1=O)C(N1C2C=C(C)c2c1cccc2)C(=O)c1ccc(cc1)(N+)(=O)(O)
CCCCN1C(=O)C2C3C=C(C4=CC=CC=C4N3C(C2C1=O)C(=O)C5=CC=C(C=C5)(N+)(=O)(O))C
InChI=1SC26H25N3O5c134132725(31)21201415(2)18756819(18)28(20)23(22(21)26(27)32)24(30)1691117(121016)29(33)34h512142023H3413H212H3
MFCD09793570
ZINC000103461893
ZINC000245255626

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Available files

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