Vitas-M small molecule compound
4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STK114016
SMILES COc1ccc(c2c1NC(c1cc(Br)c(c(c1)OC)OC)C1C2C=CC1)[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 C21H21BrN2O5 MW 461.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O5/c1-27-16-8-7-15(24(25)26)18-12-5-4-6-13(12)19(23-20(16)18)11-9-14(22)21(29-3)17(10-11)28-2/h4-5,7-10,12-13,19,23H,6H2,1-3H3InChIKey
JNHSTODHMNAQFW-UHFFFAOYSA-NSynonyms
(3AS4R9BR)4(3BROMO45DIMETHOXYPHENYL)6METHOXY9NITRO3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE
4(3BROMO45DIMETHOXYPHENYL)6METHOXY9NITRO3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE
COC1=C2C(=C(C=C1)(N+)(=O)(O))C3C=CCC3C(N2)C4=CC(=C(C(=C4)Br)OC)OC
COc1ccc(c2c1NC(c1cc(Br)c(c(c1)OC)OC)C1C2C=CC1)(N+)(=O)(O)
InChI=1SC21H21BrN2O5c127168715(24(25)26)181254613(12)19(2320(16)18)11914(22)21(293)17(1011)282h4571012131923H6H213H3
MFCD04127645
ZINC000009763671
ZINC000012628368
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