Vitas-M small molecule compound

methyl 2-{[(2-{[(4-fluorobenzyl)sulfanyl]acetyl}hydrazinyl)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK446294
SMILES COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(cc2)F)sc2c1CCCC2

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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 C20H22FN3O3S3 MW 467.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN3O3S3/c1-27-19(26)17-14-4-2-3-5-15(14)30-18(17)22-20(28)24-23-16(25)11-29-10-12-6-8-13(21)9-7-12/h6-9H,2-5,10-11H2,1H3,(H,23,25)(H2,22,24,28)
InChIKey
JFBXGFRMWNCHIX-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NNC(=O)CSCC3=CC=C(C=C3)F
InChI=1SC20H22FN3O3S3c12719(26)1714423515(14)3018(17)2220(28)242316(25)112910126813(21)9712h69H251011H21H3(H2325)(H2222428)
methyl2(((2(((4fluorobenzyl)sulfanyl)acetyl)hydrazinyl)carbonothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((2((4fluorophenyl)methylsulfanyl)acetyl)amino)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD04058722
ZINC000020220646
ZINC20220646

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Available files

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