Vitas-M small molecule compound

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

Catalog ID
STK420858
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)c1cc(nc2c1cccc2)c1ccc(c(c1)C)C)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 C30H31N3O4S MW 529.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O4S/c1-7-33(8-2)29(35)26-19(5)25(30(36)37-6)28(38-26)32-27(34)22-16-24(20-14-13-17(3)18(4)15-20)31-23-12-10-9-11-21(22)23/h9-16H,7-8H2,1-6H3,(H,32,34)
InChIKey
KOZUFWDJZAZNES-UHFFFAOYSA-N
Synonyms

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)C)C)C(=O)OC)C
InChI=1SC30H31N3O4Sc1733(82)29(35)2619(5)25(30(36)376)28(3826)3227(34)221624(20141317(3)18(4)1520)3123121091121(22)23h916H78H216H3(H3234)
METHYL5((DIETHYLAMINO)CARBONYL)2(((2(34DIMETHYLPHENYL)4QUINOLINYL)CARBONYL)AMINO)4METHYL3THIOPHENECARBOXYLATE
methyl5(diethylcarbamoyl)2(((2(34dimethylphenyl)quinolin4yl)carbonyl)amino)4methylthiophene3carboxylate
METHYL5(DIETHYLCARBAMOYL)2((2(34DIMETHYLPHENYL)QUINOLINE4CARBONYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD02371762
ZINC000002752749
ZINC02752749
ZINC2752749

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Available files

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