Vitas-M small molecule compound
4-methoxybenzyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK018985
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)(C)C
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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 C28H28BrNO6 MW 554.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28BrNO6/c1-15-24(27(32)34-13-16-5-7-17(33-4)8-6-16)25(18-9-22-23(10-19(18)29)36-14-35-22)26-20(30-15)11-28(2,3)12-21(26)31/h5-10,25,30H,11-14H2,1-4H3InChIKey
LTHLSGJDYFDURR-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(6bromo13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
4methoxybenzyl4(6bromo13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3Br)OCO4)C(=O)OCC5=CC=C(C=C5)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)(C)C
InChI=1SC28H28BrNO6c11524(27(32)3413165717(334)8616)25(1892223(1019(18)29)36143522)2620(3015)1128(23)1221(26)31h5102530H1114H214H3
MFCD02375953
STK018985
ZINC000001202214
ZINC000001202216
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