Vitas-M small molecule compound
methyl (3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylate
Catalog ID
STL221994
SMILES COC(=O)c1cccc2c1N[C@H]([C@@H]1[C@H]2C=CC1)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 C21H18BrNO4 MW 428.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrNO4/c1-25-21(24)14-7-3-6-12-11-4-2-5-13(11)20(23-19(12)14)15-8-17-18(9-16(15)22)27-10-26-17/h2-4,6-9,11,13,20,23H,5,10H2,1H3/t11-,13-,20+/m0/s1InChIKey
YOIPCGLGFSOBCT-HGFQGUBDSA-NSynonyms
COC(=O)C1=C2C(=CC=C1)C3C=CCC3C(N2)C4=CC5=C(C=C4Br)OCO5
COC(=O)c1cccc2c1N(C@H)((C@@H)1(C@H)2C=CC1)c1cc2OCOc2cc1Br
InChI=1SC21H18BrNO4c12521(24)14736121142513(11)20(2319(12)14)1581718(916(15)22)27102617h246911132023H510H21H3t111320+m0s1
methyl(3aS4R9bR)4(6bromo13benzodioxol5yl)3a459btetrahydro3Hcyclopenta(c)quinoline6carboxylate
MFCD24857541
ZINC000004172101
ZINC04172101
ZINC4172101
Check stock
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