Vitas-M small molecule compound

methyl 5-ethyl-2-[({2-[4-(2-methylpropyl)phenyl]quinolin-4-yl}carbonyl)amino]thiophene-3-carboxylate

Catalog ID
STK419817
SMILES COC(=O)c1cc(sc1NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)CC(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 C28H28N2O3S MW 472.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O3S/c1-5-20-15-23(28(32)33-4)27(34-20)30-26(31)22-16-25(29-24-9-7-6-8-21(22)24)19-12-10-18(11-13-19)14-17(2)3/h6-13,15-17H,5,14H2,1-4H3,(H,30,31)
InChIKey
VSMLHRXHJTYEBH-UHFFFAOYSA-N
Synonyms
350998-20-8
350998208
CCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)C)C(=O)OC
InChI=1SC28H28N2O3Sc15201523(28(32)334)27(3420)3026(31)221625(2924976821(22)24)19121018(111319)1417(2)3h6131517H514H214H3(H3031)
methyl5ethyl2(((2(4(2methylpropyl)phenyl)quinolin4yl)carbonyl)amino)thiophene3carboxylate
METHYL5ETHYL2(((2(4ISOBUTYLPHENYL)4QUINOLINYL)CARBONYL)AMINO)3THIOPHENECARBOXYLATE
METHYL5ETHYL2((2(4(2METHYLPROPYL)PHENYL)QUINOLINE4CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD01922730
ZINC000002753615
ZINC02753615
ZINC2753615

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Available files

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