Vitas-M small molecule compound

N-cyclopentyl-1-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide

Catalog ID
STK741804
SMILES O=C1C=C(NCC2N(CCc3c2cccc3)C(=S)NC2CCCC2)CC(C1)(C)C

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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 C24H33N3OS MW 411.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33N3OS/c1-24(2)14-19(13-20(28)15-24)25-16-22-21-10-6-3-7-17(21)11-12-27(22)23(29)26-18-8-4-5-9-18/h3,6-7,10,13,18,22,25H,4-5,8-9,11-12,14-16H2,1-2H3,(H,26,29)
InChIKey
GLMDWTVKRSKELQ-UHFFFAOYSA-N
Synonyms

CC1(CC(=CC(=O)C1)NCC2C3=CC=CC=C3CCN2C(=S)NC4CCCC4)C
InChI=1SC24H33N3OSc124(2)1419(1320(28)1524)251622211063717(21)111227(22)23(29)2618845918h3671013182225H458911121416H212H3(H2629)
MFCD03759991
Ncyclopentyl1(((55dimethyl3oxocyclohex1en1yl)amino)methyl)34dihydroisoquinoline2(1H)carbothioamide
NCYCLOPENTYL1(((55DIMETHYL3OXOCYCLOHEXEN1YL)AMINO)METHYL)34DIHYDRO1HISOQUINOLINE2CARBOTHIOAMIDE
ZINC000004171641
ZINC000008717074

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Available files

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