Vitas-M small molecule compound
cyclopentyl 4-(3-bromo-4-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403221
SMILES COc1ccc(cc1Br)C1C2=C(NC(=C1C(=O)OC1CCCC1)C)CC(CC2=O)c1ccccc1OC
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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 C30H32BrNO5 MW 566.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32BrNO5/c1-17-27(30(34)37-20-8-4-5-9-20)28(18-12-13-26(36-3)22(31)14-18)29-23(32-17)15-19(16-24(29)33)21-10-6-7-11-25(21)35-2/h6-7,10-14,19-20,28,32H,4-5,8-9,15-16H2,1-3H3InChIKey
QAHWCPRGUUMWLT-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=C(C=C4)OC)Br)C(=O)OC5CCCC5
cyclopentyl4(3bromo4methoxyphenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(3bromo4methoxyphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H32BrNO5c11727(30(34)3720845920)28(18121326(363)22(31)1418)2923(3217)1519(1624(29)33)2110671125(21)352h67101419202832H45891516H213H3
MFCD03312449
ZINC000001434659
ZINC000001434662
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