Vitas-M small molecule compound

8-(furan-2-ylcarbonyl)-10-(3-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

Catalog ID
STL239721
SMILES O=C(C1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)c1cccc(c1)[N+](=O)[O-])c1ccco1

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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 C25H17N3O6 MW 455.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17N3O6/c29-23(18-9-4-12-34-18)22-20-19(21-17-8-2-1-5-14(17)10-11-26(21)22)24(30)27(25(20)31)15-6-3-7-16(13-15)28(32)33/h1-13,19-22H
InChIKey
MRGMPRQUSGKBCP-UHFFFAOYSA-N
Synonyms

(8S8aR11aS)8(furan2carbonyl)10(3nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
8(furan2ylcarbonyl)10(3nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)C5=CC=CO5)C(=O)N(C4=O)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC25H17N3O6c2923(1894123418)222019(2117821514(17)101126(21)22)24(30)27(25(20)31)1563716(1315)28(32)33h1131922H
MFCD24858939
O=C((C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1cccc(c1)(N+)(=O)(O))c1ccco1
O=C(C1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)c1cccc(c1)(N+)(=O)(O))c1ccco1
ZINC000015988935
ZINC000247323783

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Available files

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