Vitas-M small molecule compound
methyl (3aS,4R,9bR)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylate
Catalog ID
STL221993
SMILES COC(=O)c1cccc2c1N[C@@H](c1ccc(cc1)Br)[C@@H]1[C@H]2C=CC1
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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 C20H18BrNO2 MW 384.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrNO2/c1-24-20(23)17-7-3-6-16-14-4-2-5-15(14)18(22-19(16)17)12-8-10-13(21)11-9-12/h2-4,6-11,14-15,18,22H,5H2,1H3/t14-,15+,18+/m1/s1InChIKey
JZVFWTCSLRHXSS-VKJFTORMSA-NSynonyms
COC(=O)C1=C2C(=CC=C1)C3C=CCC3C(N2)C4=CC=C(C=C4)Br
COC(=O)c1cccc2c1N(C@@H)(c1ccc(cc1)Br)(C@@H)1(C@H)2C=CC1
InChI=1SC20H18BrNO2c12420(23)17736161442515(14)18(2219(16)17)1281013(21)11912h2461114151822H5H21H3t1415+18+m1s1
methyl(3aS4R9bR)4(4bromophenyl)3a459btetrahydro3Hcyclopenta(c)quinoline6carboxylate
MFCD24857540
ZINC000014165794
ZINC14165794
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