Vitas-M small molecule compound

methyl 2-({[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

Catalog ID
STK460550
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2)CC

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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 C29H27N3O6S MW 545.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O6S/c1-5-32(6-2)28(34)25-16(3)24(29(35)36-4)27(39-25)31-26(33)19-14-21(30-20-10-8-7-9-18(19)20)17-11-12-22-23(13-17)38-15-37-22/h7-14H,5-6,15H2,1-4H3,(H,31,33)
InChIKey
FUVGJRNWTQLFKY-UHFFFAOYSA-N
Synonyms

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)OC)C
InChI=1SC29H27N3O6Sc1532(62)28(34)2516(3)24(29(35)364)27(3925)3126(33)191421(30201087918(19)20)1711122223(1317)38153722h714H5615H214H3(H3133)
methyl2(((2(13benzodioxol5yl)quinolin4yl)carbonyl)amino)5(diethylcarbamoyl)4methylthiophene3carboxylate
METHYL2((2(13BENZODIOXOL5YL)QUINOLINE4CARBONYL)AMINO)5(DIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2((2(2HBENZO(34D)13DIOXOLEN5YL)(4QUINOLYL))CARBONYLAMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03395891
ZINC000097947908
ZINC97947908

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Available files

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