Vitas-M small molecule compound
4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
Catalog ID
STL455261
SMILES OC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1cc2OCOc2cc1Br
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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 C20H16BrNO4 MW 414.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrNO4/c21-15-8-18-17(25-9-26-18)7-14(15)19-12-3-1-2-11(12)13-6-10(20(23)24)4-5-16(13)22-19/h1-2,4-8,11-12,19,22H,3,9H2,(H,23,24)InChIKey
ZTCFLIAQZSENEG-UHFFFAOYSA-NSynonyms
(3AS4R9BR)4(6BROMO13BENZODIOXOL5YL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE8CARBOXYLICACID
4(6BROMANYL13BENZODIOXOL5YL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE8CARBOXYLICACID
4(6bromo13benzodioxol5yl)3a459btetrahydro3Hcyclopenta(c)quinoline8carboxylicacid
C1C=CC2C1C(NC3=C2C=C(C=C3)C(=O)O)C4=CC5=C(C=C4Br)OCO5
InChI=1SC20H16BrNO4c211581817(2592618)714(15)191231211(12)13610(20(23)24)4516(13)2219h124811121922H39H2(H2324)
MFCD02226262
ZINC000000871766
ZINC000146467177
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