Vitas-M small molecule compound
2-methylpropyl 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
STK052120
SMILES CCOc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OCC(C)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/c1-6-37-25-14-20(11-22(31)29(25)34)27-26(30(35)38-15-16(2)3)17(4)32-23-12-19(13-24(33)28(23)27)18-7-9-21(36-5)10-8-18/h7-11,14,16,19,27,32,34H,6,12-13,15H2,1-5H3InChIKey
ZZISXLNUWTZCRV-UHFFFAOYSA-NSynonyms
2methylpropyl4(3bromo5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl4(3bromo5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OCC(C)C)C)Br)O
CCOc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OCC(C)C)C
InChI=1SC30H34BrNO6c1637251420(1122(31)29(25)34)2726(30(35)381516(2)3)17(4)32231219(1324(33)28(23)27)187921(365)10818h711141619273234H6121315H215H3
MFCD01572225
STK052120
ZINC000000708166
ZINC000000708169
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