Vitas-M small molecule compound
(3aS,4R,9bR)-6-methoxy-9-methyl-4-{4-[(4-nitrobenzyl)oxy]phenyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL222004
SMILES COc1ccc(c2c1N[C@@H](c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-])[C@@H]1[C@H]2C=CC1)C
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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 C27H26N2O4 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4/c1-17-6-15-24(32-2)27-25(17)22-4-3-5-23(22)26(28-27)19-9-13-21(14-10-19)33-16-18-7-11-20(12-8-18)29(30)31/h3-4,6-15,22-23,26,28H,5,16H2,1-2H3/t22-,23+,26+/m1/s1InChIKey
QMODIBWKRXABQU-UMFSSWHCSA-NSynonyms
(3aS4R9bR)6methoxy9methyl4(4((4nitrobenzyl)oxy)phenyl)3a459btetrahydro3Hcyclopenta(c)quinoline
(3aS4R9bR)6methoxy9methyl4(4((4nitrophenyl)methoxy)phenyl)3a459btetrahydro3Hcyclopenta(c)quinoline
CC1=C2C3C=CCC3C(NC2=C(C=C1)OC)C4=CC=C(C=C4)OCC5=CC=C(C=C5)(N+)(=O)(O)
COc1ccc(c2c1N(C@@H)(c1ccc(cc1)OCc1ccc(cc1)(N+)(=O)(O))(C@@H)1(C@H)2C=CC1)C
InChI=1SC27H26N2O4c11761524(322)2725(17)2243523(22)26(2827)1991321(141019)33161871120(12818)29(30)31h3461522232628H516H212H3t2223+26+m1s1
MFCD24857549
ZINC000016291432
ZINC16291432
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