Vitas-M small molecule compound
ethyl (3aS,4R,9bR)-4-(3-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Catalog ID
STL221981
SMILES CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1cccc(c1)Br
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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 C21H20BrNO2 MW 398.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrNO2/c1-2-25-21(24)14-9-10-19-18(12-14)16-7-4-8-17(16)20(23-19)13-5-3-6-15(22)11-13/h3-7,9-12,16-17,20,23H,2,8H2,1H3/t16-,17+,20+/m1/s1InChIKey
ZLKQTLDMIYDCCR-UWVAXJGDSA-NSynonyms
CCOC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC(=CC=C4)Br
CCOC(=O)c1ccc2c(c1)(C@@H)1C=CC(C@@H)1(C@@H)(N2)c1cccc(c1)Br
ethyl(3aS4R9bR)4(3bromophenyl)3a459btetrahydro3Hcyclopenta(c)quinoline8carboxylate
InChI=1SC21H20BrNO2c122521(24)149101918(1214)1674817(16)20(2319)1353615(22)1113h3791216172023H28H21H3t1617+20+m1s1
MFCD24857530
ZINC000004003779
ZINC04003779
ZINC4003779
Check stock
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