Vitas-M small molecule compound

methyl 6-methyl-2-{[(3-methyl-2-phenylquinolin-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK432053
SMILES COC(=O)c1c(NC(=O)c2c(C)c(nc3c2cccc3)c2ccccc2)sc2c1CCC(C2)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 C28H26N2O3S MW 470.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O3S/c1-16-13-14-20-22(15-16)34-27(24(20)28(32)33-3)30-26(31)23-17(2)25(18-9-5-4-6-10-18)29-21-12-8-7-11-19(21)23/h4-12,16H,13-15H2,1-3H3,(H,30,31)
InChIKey
OBIRVCWMXFACMW-UHFFFAOYSA-N
Synonyms

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)C
InChI=1SC28H26N2O3Sc11613142022(1516)3427(24(20)28(32)333)3026(31)2317(2)25(1895461018)292112871119(21)23h41216H1315H213H3(H3031)
methyl6methyl2(((3methyl2phenylquinolin4yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6methyl2((3methyl2phenylquinoline4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01353202
ZINC000002739904
ZINC000002739905

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Available files

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