Vitas-M small molecule compound
4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STK111561
SMILES COc1cc(cc2c1NC(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/c1-27-17-10-12(24(25)26)9-15-13-5-4-6-14(13)19(23-20(15)17)11-7-16(22)21(29-3)18(8-11)28-2/h4-5,7-10,13-14,19,23H,6H2,1-3H3InChIKey
HJWIDERNYPGKRI-UHFFFAOYSA-NSynonyms
4(3BROMO45DIMETHOXYPHENYL)6METHOXY8NITRO3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE
COC1=C(C(=CC(=C1)C2C3CC=CC3C4=CC(=CC(=C4N2)OC)(N+)(=O)(O))Br)OC
COc1cc(cc2c1NC(c1cc(Br)c(c(c1)OC)OC)C1C2C=CC1)(N+)(=O)(O)
InChI=1SC21H21BrN2O5c127171012(24(25)26)9151354614(13)19(2320(15)17)11716(22)21(293)18(811)282h4571013141923H6H213H3
MFCD04127666
ZINC000009763319
ZINC000012468738
Check stock
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Check stock on Vitas-MAvailable files
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