Vitas-M small molecule compound

N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide

Catalog ID
STK423608
SMILES CCCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1cc(nc2c1cccc2)c1cccc(c1)OCC

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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 C30H31N3O3S MW 513.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O3S/c1-3-8-18-13-14-22-26(15-18)37-30(27(22)28(31)34)33-29(35)23-17-25(32-24-12-6-5-11-21(23)24)19-9-7-10-20(16-19)36-4-2/h5-7,9-12,16-18H,3-4,8,13-15H2,1-2H3,(H2,31,34)(H,33,35)
InChIKey
UPKFXGYGNTXMNZ-UHFFFAOYSA-N
Synonyms

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OCC
InChI=1SC30H31N3O3Sc1381813142226(1518)3730(27(22)28(31)34)3329(35)231725(322412651121(23)24)19971020(1619)3642h579121618H3481315H212H3(H23134)(H3335)
MFCD01922603
N(3carbamoyl6propyl4567tetrahydro1benzothiophen2yl)2(3ethoxyphenyl)quinoline4carboxamide
ZINC000002753530
ZINC000002753531

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Available files

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