Vitas-M small molecule compound

ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-{[(pyridin-3-ylcarbonyl)carbamothioyl]amino}thiophene-3-carboxylate

Catalog ID
STL332854
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cccnc2)sc(c1C)C(=O)Nc1ccccc1C

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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 C23H22N4O4S2 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S2/c1-4-31-22(30)17-14(3)18(20(29)25-16-10-6-5-8-13(16)2)33-21(17)27-23(32)26-19(28)15-9-7-11-24-12-15/h5-12H,4H2,1-3H3,(H,25,29)(H2,26,27,28,32)
InChIKey
WBIMUKHYOGDDKO-UHFFFAOYSA-N
Synonyms
370574-06-4
370574064
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=S)NC(=O)C3=CN=CC=C3
ethyl4methyl2(3nicotinoylthioureido)5(otolylcarbamoyl)thiophene3carboxylate
ethyl4methyl5((2methylphenyl)carbamoyl)2(((pyridin3ylcarbonyl)carbamothioyl)amino)thiophene3carboxylate
ETHYL4METHYL5((2METHYLPHENYL)CARBAMOYL)2(PYRIDINE3CARBONYLCARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC23H22N4O4S2c143122(30)1714(3)18(20(29)25161065813(16)2)3321(17)2723(32)2619(28)159711241215h512H4H213H3(H2529)(H226272832)
MFCD01994092
ZINC000002316473
ZINC02316473
ZINC2316473

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Available files

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