Vitas-M small molecule compound

methyl 2-({[6-bromo-2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}amino)-5-(propan-2-yl)thiophene-3-carboxylate

Catalog ID
STK428572
SMILES CCOc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)Nc1sc(cc1C(=O)OC)C(C)C)Br

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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 C27H25BrN2O4S MW 553.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN2O4S/c1-5-34-18-9-6-16(7-10-18)23-13-20(19-12-17(28)8-11-22(19)29-23)25(31)30-26-21(27(32)33-4)14-24(35-26)15(2)3/h6-15H,5H2,1-4H3,(H,30,31)
InChIKey
OOGOLYGODXZOOC-UHFFFAOYSA-N
Synonyms

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C=C(S4)C(C)C)C(=O)OC
InChI=1SC27H25BrN2O4Sc1534189616(71018)231320(191217(28)81122(19)2923)25(31)302621(27(32)334)1424(3526)15(2)3h615H5H214H3(H3031)
METHYL2(((6BROMO2(4ETHOXYPHENYL)4QUINOLINYL)CARBONYL)AMINO)5ISOPROPYL3THIOPHENECARBOXYLATE
methyl2(((6bromo2(4ethoxyphenyl)quinolin4yl)carbonyl)amino)5(propan2yl)thiophene3carboxylate
METHYL2((6BROMO2(4ETHOXYPHENYL)(4QUINOLYL))CARBONYLAMINO)5(METHYLETHYL)THIOPHENE3CARBOXYLATE
METHYL2((6BROMO2(4ETHOXYPHENYL)QUINOLINE4CARBONYL)AMINO)5PROPAN2YLTHIOPHENE3CARBOXYLATE
MFCD03233972
ZINC000002108348
ZINC02108348
ZINC2108348

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.