Vitas-M small molecule compound

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

Catalog ID
STK420828
SMILES COC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2

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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 C30H22N2O5S MW 522.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N2O5S/c1-17-7-9-18(10-8-17)22-15-38-29(27(22)30(34)35-2)32-28(33)21-14-24(31-23-6-4-3-5-20(21)23)19-11-12-25-26(13-19)37-16-36-25/h3-15H,16H2,1-2H3,(H,32,33)
InChIKey
UZEOAOZIZIARFF-UHFFFAOYSA-N
Synonyms
354536-69-9
354536699
CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6
InChI=1SC30H22N2O5Sc1177918(10817)22153829(27(22)30(34)352)3228(33)211424(3123643520(21)23)1911122526(1319)37163625h315H16H212H3(H3233)
METHYL2(((2(13BENZODIOXOL5YL)4QUINOLINYL)CARBONYL)AMINO)4(4METHYLPHENYL)3THIOPHENECARBOXYLATE
methyl2(((2(13benzodioxol5yl)quinolin4yl)carbonyl)amino)4(4methylphenyl)thiophene3carboxylate
METHYL2((2(13BENZODIOXOL5YL)QUINOLINE4CARBONYL)AMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
MFCD02371389
ZINC000002751629
ZINC02751629
ZINC2751629

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Available files

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