Vitas-M small molecule compound
(3aS,4R,9bR)-4-(3-chlorophenyl)-8,9-dimethyl-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL222090
SMILES Clc1cccc(c1)[C@@H]1Nc2c([C@H]3[C@@H]1CC=C3)c(C)c(cc2[N+](=O)[O-])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 C20H19ClN2O2 MW 354.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O2/c1-11-9-17(23(24)25)20-18(12(11)2)15-7-4-8-16(15)19(22-20)13-5-3-6-14(21)10-13/h3-7,9-10,15-16,19,22H,8H2,1-2H3/t15-,16+,19+/m1/s1InChIKey
JWMUUZAFHXDNAU-GJYPPUQNSA-NSynonyms
(3aS4R9bR)4(3chlorophenyl)89dimethyl6nitro3a459btetrahydro3Hcyclopenta(c)quinoline
CC1=CC(=C2C(=C1C)C3C=CCC3C(N2)C4=CC(=CC=C4)Cl)(N+)(=O)(O)
Clc1cccc(c1)(C@@H)1Nc2c((C@H)3(C@@H)1CC=C3)c(C)c(cc2(N+)(=O)(O))C
InChI=1SC20H19ClN2O2c111917(23(24)25)2018(12(11)2)1574816(15)19(2220)1353614(21)1013h3791015161922H8H212H3t1516+19+m1s1
MFCD24857630
ZINC000005739799
ZINC05739799
ZINC5739799
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