Vitas-M small molecule compound

ethyl 2-{[(2-{[(2-chloro-4-fluorobenzyl)sulfanyl]acetyl}hydrazinyl)carbonothioyl]amino}-5-methyl-4-phenylthiophene-3-carboxylate

Catalog ID
STK445701
SMILES CCOC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(cc2Cl)F)sc(c1c1ccccc1)C

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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 C24H23ClFN3O3S3 MW 552.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClFN3O3S3/c1-3-32-23(31)21-20(15-7-5-4-6-8-15)14(2)35-22(21)27-24(33)29-28-19(30)13-34-12-16-9-10-17(26)11-18(16)25/h4-11H,3,12-13H2,1-2H3,(H,28,30)(H2,27,29,33)
InChIKey
YAVQANYYUUJREM-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)CSCC3=C(C=C(C=C3)F)Cl
ETHYL2((((2((2CHLORO4FLUOROPHENYL)METHYLTHIO)ACETYLAMINO)AMINO)THIOXOMETHYL)AMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
ethyl2(((2(((2chloro4fluorobenzyl)sulfanyl)acetyl)hydrazinyl)carbonothioyl)amino)5methyl4phenylthiophene3carboxylate
ethyl2(((2((2chloro4fluorophenyl)methylsulfanyl)acetyl)amino)carbamothioylamino)5methyl4phenylthiophene3carboxylate
InChI=1SC24H23ClFN3O3S3c133223(31)2120(157546815)14(2)3522(21)2724(33)292819(30)1334121691017(26)1118(16)25h411H31213H212H3(H2830)(H2272933)
MFCD04057864
ZINC000097948097
ZINC97948097

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Available files

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