Vitas-M small molecule compound

ethyl 4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate

Catalog ID
STK325634
SMILES CCOC(=O)c1ccc2c(c1)C1C=CCC1C(N2)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 C21H20N2O4 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4/c1-2-27-21(24)14-9-10-19-18(12-14)16-7-4-8-17(16)20(22-19)13-5-3-6-15(11-13)23(25)26/h3-7,9-12,16-17,20,22H,2,8H2,1H3
InChIKey
ZVADUHWSMMXPBN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC(=CC=C4)(N+)(=O)(O)
CCOC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1cccc(c1)(N+)(=O)(O)
ETHYL4(3NITROPHENYL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE8CARBOXYLATE
InChI=1SC21H20N2O4c122721(24)149101918(1214)1674817(16)20(2219)1353615(1113)23(25)26h3791216172022H28H21H3
MFCD00981487
ZINC000004321241
ZINC000169682613

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Available files

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