Vitas-M small molecule compound
methyl 2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK420908
SMILES COC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2ccc(c(c2)C)C)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 C29H28N2O3S MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O3S/c1-16-9-12-21-25(13-16)35-28(26(21)29(33)34-4)31-27(32)22-15-24(19-11-10-17(2)18(3)14-19)30-23-8-6-5-7-20(22)23/h5-8,10-11,14-16H,9,12-13H2,1-4H3,(H,31,32)InChIKey
WOPWUCPZYVSIGT-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)C)C
InChI=1SC29H28N2O3Sc1169122125(1316)3528(26(21)29(33)344)3127(32)221524(19111017(2)18(3)1419)3023865720(22)23h5810111416H91213H214H3(H3132)
methyl2(((2(34dimethylphenyl)quinolin4yl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((2(34dimethylphenyl)quinoline4carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD02371606
ZINC000002752435
ZINC000002752436
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