Vitas-M small molecule compound
ethyl 5-benzyl-2-{[(2-{[(4-methylbenzyl)sulfanyl]acetyl}hydrazinyl)carbonothioyl]amino}thiophene-3-carboxylate
Catalog ID
STK446146
SMILES CCOC(=O)c1cc(sc1NC(=S)NNC(=O)CSCc1ccc(cc1)C)Cc1ccccc1
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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 C25H27N3O3S3 MW 513.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3S3/c1-3-31-24(30)21-14-20(13-18-7-5-4-6-8-18)34-23(21)26-25(32)28-27-22(29)16-33-15-19-11-9-17(2)10-12-19/h4-12,14H,3,13,15-16H2,1-2H3,(H,27,29)(H2,26,28,32)InChIKey
BPMQUZUAFLNMON-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)CSCC3=CC=C(C=C3)C
ETHYL2((((2((4METHYLPHENYL)METHYLTHIO)ACETYLAMINO)AMINO)THIOXOMETHYL)AMINO)5BENZYLTHIOPHENE3CARBOXYLATE
ethyl5benzyl2(((2(((4methylbenzyl)sulfanyl)acetyl)hydrazinyl)carbonothioyl)amino)thiophene3carboxylate
ethyl5benzyl2(((2((4methylphenyl)methylsulfanyl)acetyl)amino)carbamothioylamino)thiophene3carboxylate
InChI=1SC25H27N3O3S3c133124(30)211420(13187546818)3423(21)2625(32)282722(29)1633151911917(2)101219h41214H3131516H212H3(H2729)(H2262832)
MFCD04058382
ZINC000020168662
ZINC20168662
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