Vitas-M small molecule compound

ethyl 4-{[(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethyl)carbamothioyl]amino}benzoate

Catalog ID
STK184911
SMILES CCOC(=O)c1ccc(cc1)NC(=S)NCc1cc2CCCN3c2c(c1)CCC3

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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 C23H27N3O2S MW 409.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O2S/c1-2-28-22(27)17-7-9-20(10-8-17)25-23(29)24-15-16-13-18-5-3-11-26-12-4-6-19(14-16)21(18)26/h7-10,13-14H,2-6,11-12,15H2,1H3,(H2,24,25,29)
InChIKey
DGFVAGOEJPHIFW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC3=C4C(=C2)CCCN4CCC3
ethyl4(((2367tetrahydro1H5Hpyrido(321ij)quinolin9ylmethyl)carbamothioyl)amino)benzoate
InChI=1SC23H27N3O2Sc122822(27)177920(10817)2523(29)2415161318531126124619(1416)21(18)26h7101314H26111215H21H3(H2242529)
MFCD06014747
ZINC000004622957
ZINC04622957
ZINC4622957

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Available files

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