Vitas-M small molecule compound

ethyl 2-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK110202
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cccc3c2cccc3)sc2c1CCCC2

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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 C23H22N2O3S2 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O3S2/c1-2-28-22(27)19-17-11-5-6-13-18(17)30-21(19)25-23(29)24-20(26)16-12-7-9-14-8-3-4-10-15(14)16/h3-4,7-10,12H,2,5-6,11,13H2,1H3,(H2,24,25,26,29)
InChIKey
WNDLBTWUWCWCNK-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43
ethyl2(((naphthalen1ylcarbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(naphthalene1carbonylcarbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H22N2O3S2c122822(27)191711561318(17)3021(19)2523(29)2420(26)161279148341015(14)16h3471012H2561113H21H3(H224252629)
MFCD02921135
ZINC000001176525
ZINC01176525
ZINC1176525

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Available files

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