Vitas-M small molecule compound
4-(3-bromo-4,5-dimethoxyphenyl)-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STK114202
SMILES COc1c(Br)cc(cc1OC)C1Nc2c(C3C1CC=C3)cccc2[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 C20H19BrN2O4 MW 431.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O4/c1-26-17-10-11(9-15(21)20(17)27-2)18-13-6-3-5-12(13)14-7-4-8-16(23(24)25)19(14)22-18/h3-5,7-10,12-13,18,22H,6H2,1-2H3InChIKey
NUDPKGCOKVZIDG-UHFFFAOYSA-NSynonyms
4(3BROMO45DIMETHOXYPHENYL)6NITRO3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE
COC1=C(C(=CC(=C1)C2C3CC=CC3C4=C(N2)C(=CC=C4)(N+)(=O)(O))Br)OC
COc1c(Br)cc(cc1OC)C1Nc2c(C3C1CC=C3)cccc2(N+)(=O)(O)
InChI=1SC20H19BrN2O4c126171011(915(21)20(17)272)181363512(13)1474816(23(24)25)19(14)2218h3571012131822H6H212H3
MFCD04127632
ZINC000009763823
ZINC000059267091
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