Vitas-M small molecule compound
(3aS,4R,9bR)-4-(4-chlorophenyl)-8,9-dimethyl-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL222097
SMILES Clc1ccc(cc1)[C@@H]1Nc2c(cc(c(c2[C@H]2[C@@H]1CC=C2)C)C)[N+](=O)[O-]
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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 C20H19ClN2O2 MW 354.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O2/c1-11-10-17(23(24)25)20-18(12(11)2)15-4-3-5-16(15)19(22-20)13-6-8-14(21)9-7-13/h3-4,6-10,15-16,19,22H,5H2,1-2H3/t15-,16+,19+/m1/s1InChIKey
DWTFRFPHVHIYPA-GJYPPUQNSA-NSynonyms
(3aS4R9bR)4(4chlorophenyl)89dimethyl6nitro3a459btetrahydro3Hcyclopenta(c)quinoline
CC1=CC(=C2C(=C1C)C3C=CCC3C(N2)C4=CC=C(C=C4)Cl)(N+)(=O)(O)
Clc1ccc(cc1)(C@@H)1Nc2c(cc(c(c2(C@H)2(C@@H)1CC=C2)C)C)(N+)(=O)(O)
InChI=1SC20H19ClN2O2c1111017(23(24)25)2018(12(11)2)1543516(15)19(2220)136814(21)9713h3461015161922H5H212H3t1516+19+m1s1
MFCD24857637
ZINC000005739790
ZINC05739790
ZINC5739790
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