Vitas-M small molecule compound

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

Catalog ID
STL240943
SMILES Cc1cc(ccc1N1C(=O)C2C(C1=O)C(N1C2c2ccccc2C=C1)C(=O)c1ccco1)[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 C26H19N3O6 MW 469.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O6/c1-14-13-16(29(33)34)8-9-18(14)28-25(31)20-21(26(28)32)23(24(30)19-7-4-12-35-19)27-11-10-15-5-2-3-6-17(15)22(20)27/h2-13,20-23H,1H3
InChIKey
SPBFLCXHVLOVJG-UHFFFAOYSA-N
Synonyms

(8S8aR11aS)8(furan2carbonyl)10(2methyl4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
8(furan2ylcarbonyl)10(2methyl4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CO6
Cc1cc(ccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1C2c2ccccc2C=C1)C(=O)c1ccco1)(N+)(=O)(O)
Cc1cc(ccc1N1C(=O)C2C(C1=O)C(N1C2c2ccccc2C=C1)C(=O)c1ccco1)(N+)(=O)(O)
InChI=1SC26H19N3O6c1141316(29(33)34)8918(14)2825(31)2021(26(28)32)23(24(30)1974123519)27111015523617(15)22(20)27h2132023H1H3
MFCD24859053
ZINC000018204301
ZINC000248122729

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Available files

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