Vitas-M small molecule compound
(3aS,4R,9bR)-9-chloro-6-methoxy-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL221985
SMILES COc1ccc(c2c1N[C@@H](c1ccc(cc1)[N+](=O)[O-])[C@@H]1[C@H]2C=CC1)Cl
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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 C19H17ClN2O3 MW 356.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN2O3/c1-25-16-10-9-15(20)17-13-3-2-4-14(13)18(21-19(16)17)11-5-7-12(8-6-11)22(23)24/h2-3,5-10,13-14,18,21H,4H2,1H3/t13-,14+,18+/m1/s1InChIKey
NTJHKLQODBMRPM-GLJUWKHASA-NSynonyms
(3aS4R9bR)9chloro6methoxy4(4nitrophenyl)3a459btetrahydro3Hcyclopenta(c)quinoline
COC1=C2C(=C(C=C1)Cl)C3C=CCC3C(N2)C4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(c2c1N(C@@H)(c1ccc(cc1)(N+)(=O)(O))(C@@H)1(C@H)2C=CC1)Cl
InChI=1SC19H17ClN2O3c1251610915(20)171332414(13)18(2119(16)17)115712(8611)22(23)24h2351013141821H4H21H3t1314+18+m1s1
MFCD24857534
ZINC000006642405
ZINC06642405
ZINC6642405
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