Vitas-M small molecule compound

1-methyl-1-[(5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-6-yl)methyl]-3-phenylthiourea

Catalog ID
STK618552
SMILES CN(C(=S)Nc1ccccc1)Cc1cc2cccc3c2n(c1=O)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 C21H21N3OS MW 363.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3OS/c1-23(21(26)22-18-10-3-2-4-11-18)14-17-13-16-8-5-7-15-9-6-12-24(19(15)16)20(17)25/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,22,26)
InChIKey
IICUOVIYCXOGPE-UHFFFAOYSA-N
Synonyms
929865-48-5
1methyl1((3oxo3567tetrahydropyrido(321ij)quinolin2yl)methyl)3phenylthiourea
1methyl1((5oxo23dihydro1H5Hpyrido(321ij)quinolin6yl)methyl)3phenylthiourea
929865485
CN(CC1=CC2=C3C(=CC=C2)CCCN3C1=O)C(=S)NC4=CC=CC=C4
InChI=1SC21H21N3OSc123(21(26)2218103241118)1417131685715961224(19(15)16)20(17)25h2578101113H691214H21H3(H2226)
MFCD09790351
ZINC000009423587
ZINC09423587
ZINC9423587

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Available files

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