Vitas-M small molecule compound
ethyl 4-{4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL175517
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1sc(c(c1)COc1ccccc1Br)C)C(=O)CC(C2)(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 C27H30BrNO4S MW 544.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30BrNO4S/c1-6-32-26(31)23-15(2)29-19-12-27(4,5)13-20(30)24(19)25(23)22-11-17(16(3)34-22)14-33-21-10-8-7-9-18(21)28/h7-11,25,29H,6,12-14H2,1-5H3InChIKey
IRKIOULGQWEYAL-UHFFFAOYSA-NSynonyms
438217-45-9438217459
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(S3)C)COC4=CC=CC=C4Br)C(=O)CC(C2)(C)C)C
ethyl4(4((2bromophenoxy)methyl)5methylthiophen2yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((2bromophenoxy)methyl)5methylthiophen2yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC27H30BrNO4Sc163226(31)2315(2)29191227(45)1320(30)24(19)25(23)221117(16(3)3422)1433211087918(21)28h7112529H61214H215H3
MFCD03074282
ZINC000002111365
ZINC000002111369
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