Vitas-M small molecule compound

3-amino-N-benzyl-4-(4-ethoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

Catalog ID
STK886363
SMILES CCOc1ccc(cc1)c1c2CCCCc2nc2c1c(N)c(s2)C(=O)NCc1ccccc1

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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 C27H27N3O2S MW 457.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S/c1-2-32-19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)30-27-23(22)24(28)25(33-27)26(31)29-16-17-8-4-3-5-9-17/h3-5,8-9,12-15H,2,6-7,10-11,16,28H2,1H3,(H,29,31)
InChIKey
DLUUAVSHPCQINL-UHFFFAOYSA-N
Synonyms
799790-39-9
3aminoNbenzyl4(4ethoxyphenyl)5678tetrahydrothieno(23b)quinoline2carboxamide
799790399
CCOC1=CC=C(C=C1)C2=C3C(=C(SC3=NC4=C2CCCC4)C(=O)NCC5=CC=CC=C5)N
InChI=1SC27H27N3O2Sc123219141218(131519)222010671121(20)302723(22)24(28)25(3327)26(31)2916178435917h35891215H26710111628H21H3(H2931)
MFCD03675937
ZINC000002214808
ZINC02214808
ZINC2214808

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Available files

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