Vitas-M small molecule compound
butan-2-yl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK090018
SMILES CCOc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC(CC)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 C30H34BrNO6 MW 584.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34BrNO6/c1-6-16(3)38-30(35)26-17(4)32-23-13-19(18-8-10-21(36-5)11-9-18)14-24(33)28(23)27(26)20-12-22(31)29(34)25(15-20)37-7-2/h8-12,15-16,19,27,32,34H,6-7,13-14H2,1-5H3InChIKey
PGYQQEYWYHVHOW-UHFFFAOYSA-NSynonyms
butan2yl4(3bromo5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(3bromo5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OCC)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
CCOc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC(CC)C)C
InChI=1SC30H34BrNO6c1616(3)3830(35)2617(4)32231319(1881021(365)11918)1424(33)28(23)27(26)201222(31)29(34)25(1520)3772h812151619273234H671314H215H3
MFCD01446379
STK090018
ZINC000100553117
ZINC000169617264
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