Vitas-M small molecule compound

diethyl 5-({[(4-tert-butylphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK060569
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)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 C23H28N2O5S2 MW 476.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O5S2/c1-7-29-20(27)16-13(3)17(21(28)30-8-2)32-19(16)25-22(31)24-18(26)14-9-11-15(12-10-14)23(4,5)6/h9-12H,7-8H2,1-6H3,(H2,24,25,26,31)
InChIKey
PXUQPFCRZOBPSZ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)sc(c1C)C(=O)OCC
DIETHYL5((((4TERTBUTYLPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
DIETHYL5((4TERTBUTYLBENZOYL)CARBAMOTHIOYLAMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC23H28N2O5S2c172920(27)1613(3)17(21(28)3082)3219(16)2522(31)2418(26)1491115(121014)23(45)6h912H78H216H3(H224252631)
MFCD03031103
STK060569
ZINC000002993290
ZINC02993290
ZINC2993290

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Available files

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