Vitas-M small molecule compound

methyl 2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)-5-phenylthiophene-3-carboxylate

Catalog ID
STK456510
SMILES COC(=O)c1cc(sc1NC(=S)Nc1ccccc1SC)c1ccccc1

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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 C20H18N2O2S3 MW 414.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O2S3/c1-24-19(23)14-12-17(13-8-4-3-5-9-13)27-18(14)22-20(25)21-15-10-6-7-11-16(15)26-2/h3-12H,1-2H3,(H2,21,22,25)
InChIKey
BPLVHHXJBQMZNL-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3SC
InChI=1SC20H18N2O2S3c12419(23)141217(138435913)2718(14)2220(25)211510671116(15)262h312H12H3(H2212225)
METHYL2((((2METHYLTHIOPHENYL)AMINO)THIOXOMETHYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
methyl2(((2(methylsulfanyl)phenyl)carbamothioyl)amino)5phenylthiophene3carboxylate
METHYL2((2METHYLSULFANYLPHENYL)CARBAMOTHIOYLAMINO)5PHENYLTHIOPHENE3CARBOXYLATE
MFCD05141474
ZINC000001120654
ZINC01120654
ZINC1120654

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Available files

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