Vitas-M small molecule compound

diethyl 5-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK456961
SMILES CCOC(=O)c1c(NC(=S)N2CCc3c(C2)cccc3)sc(c1C)C(=O)OCC

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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 C21H24N2O4S2 MW 432.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4S2/c1-4-26-19(24)16-13(3)17(20(25)27-5-2)29-18(16)22-21(28)23-11-10-14-8-6-7-9-15(14)12-23/h6-9H,4-5,10-12H2,1-3H3,(H,22,28)
InChIKey
XDSODWVETCEHJV-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCC3=CC=CC=C3C2
diethyl5((34dihydroisoquinolin2(1H)ylcarbonothioyl)amino)3methylthiophene24dicarboxylate
DIETHYL5(34DIHYDRO1HISOQUINOLINE2CARBOTHIOYLAMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC21H24N2O4S2c142619(24)1613(3)17(20(25)2752)2918(16)2221(28)23111014867915(14)1223h69H451012H213H3(H2228)
MFCD04137248
ZINC000001119286
ZINC01119286
ZINC1119286

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Available files

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