Vitas-M small molecule compound

methyl 5-benzyl-2-{[(2,6-dimethylmorpholin-4-yl)carbonothioyl]amino}thiophene-3-carboxylate

Catalog ID
STK496408
SMILES COC(=O)c1cc(sc1NC(=S)N1CC(C)OC(C1)C)Cc1ccccc1

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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 C20H24N2O3S2 MW 404.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O3S2/c1-13-11-22(12-14(2)25-13)20(26)21-18-17(19(23)24-3)10-16(27-18)9-15-7-5-4-6-8-15/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,21,26)
InChIKey
GMTQRGRHNNHBQB-UHFFFAOYSA-N
Synonyms

CC1CN(CC(O1)C)C(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC
InChI=1SC20H24N2O3S2c1131122(1214(2)2513)20(26)211817(19(23)243)1016(2718)9157546815h48101314H91112H213H3(H2126)
methyl5benzyl2(((26dimethylmorpholin4yl)carbonothioyl)amino)thiophene3carboxylate
methyl5benzyl2((26dimethylmorpholine4carbothioyl)amino)thiophene3carboxylate
MFCD06076018
ZINC000013828475
ZINC000013828479

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Available files

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