Vitas-M small molecule compound

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

Catalog ID
STK555126
SMILES O=C1N(c2cc(ccc2C)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccco1)cccc3

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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 C26H19N3O6 MW 469.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O6/c1-14-8-10-16(29(33)34)13-19(14)28-25(31)21-18-11-9-15-5-2-3-6-17(15)27(18)23(22(21)26(28)32)24(30)20-7-4-12-35-20/h2-13,18,21-23H,1H3/t18-,21-,22-,23+/m1/s1
InChIKey
VFMPYJZDCPVAIX-HWHRFOGPSA-N
Synonyms
1014081-90-3
(6aR6bS9aR10S)10(furan2carbonyl)8(2methyl5nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aR6bS9aR10S)10(furan2ylcarbonyl)8(2methyl5nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
1014081903
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)C6=CC=CO6
InChI=1SC26H19N3O6c11481016(29(33)34)1319(14)2825(31)211811915523617(15)27(18)23(22(21)26(28)32)24(30)2074123520h213182123H1H3t18212223+m1s1
MFCD18242842
O=C1N(c2cc(ccc2C)(N+)(=O)(O))C(=O)(C@@H)2(C@H)1(C@H)1C=Cc3c(N1(C@@H)2C(=O)c1ccco1)cccc3
ZINC000009312858
ZINC09312858
ZINC9312858

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Available files

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