Vitas-M small molecule compound
ethyl (3aS,4R,9bR)-4-(2-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylate
Catalog ID
STL280643
SMILES CCOC(=O)c1cccc2c1N[C@H]([C@@H]1[C@H]2C=CC1)c1ccccc1[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)17-11-6-10-15-13-8-5-9-14(13)19(22-20(15)17)16-7-3-4-12-18(16)23(25)26/h3-8,10-14,19,22H,2,9H2,1H3/t13-,14+,19-/m1/s1InChIKey
IUCIOCQDDTVZBC-BIENJYKASA-NSynonyms
CCOC(=O)C1=C2C(=CC=C1)C3C=CCC3C(N2)C4=CC=CC=C4(N+)(=O)(O)
CCOC(=O)c1cccc2c1N(C@H)((C@@H)1(C@H)2C=CC1)c1ccccc1(N+)(=O)(O)
ethyl(3aS4R9bR)4(2nitrophenyl)3a459btetrahydro3Hcyclopenta(c)quinoline6carboxylate
InChI=1SC21H20N2O4c122721(24)1711610151385914(13)19(2220(15)17)167341218(16)23(25)26h3810141922H29H21H3t1314+19m1s1
MFCD24850147
ZINC000001064135
ZINC01064135
ZINC1064135
Check stock
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Check stock on Vitas-MAvailable files
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