Vitas-M small molecule compound

10-(3-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide

Catalog ID
STL233001
SMILES NC(=O)C1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)c1cccc(c1)[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 C21H16N4O5 MW 404.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O5/c22-19(26)18-16-15(17-14-7-2-1-4-11(14)8-9-23(17)18)20(27)24(21(16)28)12-5-3-6-13(10-12)25(29)30/h1-10,15-18H,(H2,22,26)
InChIKey
OEFLGVMKOKDVDW-UHFFFAOYSA-N
Synonyms

(8S8aR11aS)10(3nitrophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
10(3nitrophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)N)C(=O)N(C4=O)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC21H16N4O5c2219(26)181615(1714721411(14)8923(17)18)20(27)24(21(16)28)1253613(1012)25(29)30h1101518H(H22226)
MFCD04076111
NC(=O)(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1cccc(c1)(N+)(=O)(O)
NC(=O)C1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)c1cccc(c1)(N+)(=O)(O)
ZINC000016033624
ZINC000247717072

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Available files

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