Vitas-M small molecule compound
6-bromo-2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
Catalog ID
STK686388
SMILES COc1cc(ccc1OC)C1C(C)C(Nc2c1cc(Br)cc2C(=O)O)c1ccc(cc1)C(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 C29H32BrNO4 MW 538.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32BrNO4/c1-16-25(18-9-12-23(34-5)24(13-18)35-6)21-14-20(30)15-22(28(32)33)27(21)31-26(16)17-7-10-19(11-8-17)29(2,3)4/h7-16,25-26,31H,1-6H3,(H,32,33)InChIKey
NIOOZSSPBISDDD-UHFFFAOYSA-NSynonyms
6bromo2(4tertbutylphenyl)4(34dimethoxyphenyl)3methyl1234tetrahydroquinoline8carboxylicacid
CC1C(C2=C(C(=CC(=C2)Br)C(=O)O)NC1C3=CC=C(C=C3)C(C)(C)C)C4=CC(=C(C=C4)OC)OC
InChI=1SC29H32BrNO4c11625(1891223(345)24(1318)356)211420(30)1522(28(32)33)27(21)3126(16)1771019(11817)29(23)4h716252631H16H3(H3233)
MFCD06015722
ZINC000103020554
ZINC000252430835
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