Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(3-bromo-4-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403092
SMILES COc1ccc(cc1Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1OC)C(=O)OCC1CCCO1
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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 C30H32BrNO6 MW 582.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32BrNO6/c1-17-27(30(34)38-16-20-7-6-12-37-20)28(18-10-11-26(36-3)22(31)13-18)29-23(32-17)14-19(15-24(29)33)21-8-4-5-9-25(21)35-2/h4-5,8-11,13,19-20,28,32H,6-7,12,14-16H2,1-3H3InChIKey
RGULMUQYYYLYQO-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=C(C=C4)OC)Br)C(=O)OCC5CCCO5
InChI=1SC30H32BrNO6c11727(30(34)38162076123720)28(18101126(363)22(31)1318)2923(3217)1419(1524(29)33)21845925(21)352h458111319202832H67121416H213H3
MFCD03371080
oxolan2ylmethyl4(3bromo4methoxyphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(3bromo4methoxyphenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000100134662
ZINC000229924790
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