Vitas-M small molecule compound
methyl 4-[(3aS,4R,9bR)-6-chloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
Catalog ID
STL222003
SMILES COC(=O)c1ccc(cc1)[C@@H]1Nc2c(Cl)cccc2[C@H]2[C@@H]1CC=C2
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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 C20H18ClNO2 MW 339.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClNO2/c1-24-20(23)13-10-8-12(9-11-13)18-15-5-2-4-14(15)16-6-3-7-17(21)19(16)22-18/h2-4,6-11,14-15,18,22H,5H2,1H3/t14-,15+,18+/m1/s1InChIKey
OIOVQSHPKRBUIM-VKJFTORMSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2C3CC=CC3C4=C(N2)C(=CC=C4)Cl
COC(=O)c1ccc(cc1)(C@@H)1Nc2c(Cl)cccc2(C@H)2(C@@H)1CC=C2
InChI=1SC20H18ClNO2c12420(23)1310812(91113)181552414(15)1663717(21)19(16)2218h2461114151822H5H21H3t1415+18+m1s1
methyl4((3aS4R9bR)6chloro3a459btetrahydro3Hcyclopenta(c)quinolin4yl)benzoate
MFCD09992478
ZINC000004172135
ZINC4172135
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