Vitas-M small molecule compound

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

Catalog ID
STK430352
SMILES COC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2ccccc2)sc2c1CCC(C2)C(C)(C)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 C30H30N2O3S MW 498.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O3S/c1-30(2,3)19-14-15-21-25(16-19)36-28(26(21)29(34)35-4)32-27(33)22-17-24(18-10-6-5-7-11-18)31-23-13-9-8-12-20(22)23/h5-13,17,19H,14-16H2,1-4H3,(H,32,33)
InChIKey
DURKQWVLGSUJOT-UHFFFAOYSA-N
Synonyms

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5
InChI=1SC30H30N2O3Sc130(23)1914152125(1619)3628(26(21)29(34)354)3227(33)221724(18106571118)312313981220(22)23h5131719H1416H214H3(H3233)
methyl6tertbutyl2(((2phenylquinolin4yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((2phenylquinoline4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01357936
ZINC000002742053
ZINC000002742054

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Available files

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