Vitas-M small molecule compound
ethyl 2-({[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinolin-4-yl]carbonyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate
Catalog ID
STK444513
SMILES CCOC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2ccc3c(c2)OCCO3)sc(c1CC)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 C28H26N2O5S MW 502.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O5S/c1-4-18-16(3)36-27(25(18)28(32)33-5-2)30-26(31)20-15-22(29-21-9-7-6-8-19(20)21)17-10-11-23-24(14-17)35-13-12-34-23/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,30,31)InChIKey
NIKOCEKEIAHUPA-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5)C
ethyl2(((2(23dihydro14benzodioxin6yl)quinolin4yl)carbonyl)amino)4ethyl5methylthiophene3carboxylate
ethyl2((2(23dihydro14benzodioxin6yl)quinoline4carbonyl)amino)4ethyl5methylthiophene3carboxylate
ETHYL2((2(2H3HBENZO(34E)14DIOXAN6YL)(4QUINOLYL))CARBONYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC28H26N2O5Sc141816(3)3627(25(18)28(32)3352)3026(31)201522(2921976819(20)21)1710112324(1417)3513123423h6111415H451213H213H3(H3031)
MFCD04055639
ZINC000020191551
ZINC20191551
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