Vitas-M small molecule compound

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

Catalog ID
STK418132
SMILES CCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1cc(nc2c1cccc2)c1cccc(c1)OC

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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 C28H27N3O3S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O3S/c1-3-16-11-12-20-24(13-16)35-28(25(20)26(29)32)31-27(33)21-15-23(17-7-6-8-18(14-17)34-2)30-22-10-5-4-9-19(21)22/h4-10,14-16H,3,11-13H2,1-2H3,(H2,29,32)(H,31,33)
InChIKey
SLZYOQDZCVXQHG-UHFFFAOYSA-N
Synonyms
389080-76-6
389080766
CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OC
InChI=1SC28H27N3O3Sc131611122024(1316)3528(25(20)26(29)32)3127(33)211523(1776818(1417)342)30221054919(21)22h4101416H31113H212H3(H22932)(H3133)
MFCD01358195
N(3carbamoyl6ethyl4567tetrahydro1benzothiophen2yl)2(3methoxyphenyl)quinoline4carboxamide
ZINC000002084486
ZINC000002084487

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Available files

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