Vitas-M small molecule compound
(3aS,4R,9bR)-4-(2-chloro-5-nitrophenyl)-8,9-dimethyl-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL222100
SMILES Clc1ccc(cc1[C@@H]1Nc2c(cc(c(c2[C@H]2[C@@H]1CC=C2)C)C)[N+](=O)[O-])[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 C20H18ClN3O4 MW 399.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O4/c1-10-8-17(24(27)28)20-18(11(10)2)13-4-3-5-14(13)19(22-20)15-9-12(23(25)26)6-7-16(15)21/h3-4,6-9,13-14,19,22H,5H2,1-2H3/t13-,14+,19-/m1/s1InChIKey
NDWFEYXCVFFONZ-BIENJYKASA-NSynonyms
(3aS4R9bR)4(2chloro5nitrophenyl)89dimethyl6nitro3a459btetrahydro3Hcyclopenta(c)quinoline
CC1=CC(=C2C(=C1C)C3C=CCC3C(N2)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)(N+)(=O)(O)
Clc1ccc(cc1(C@@H)1Nc2c(cc(c(c2(C@H)2(C@@H)1CC=C2)C)C)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC20H18ClN3O4c110817(24(27)28)2018(11(10)2)1343514(13)19(2220)15912(23(25)26)6716(15)21h346913141922H5H212H3t1314+19m1s1
MFCD24857640
ZINC000005739785
ZINC05739785
ZINC5739785
Check stock
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