Vitas-M small molecule compound
tributyl 4,4',4''-{1,3,5-triazine-2,4,6-triyltris[sulfanediyl(1-oxoethane-2,1-diyl)imino]}tribenzoate
Catalog ID
STK663301
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)CSc1nc(SCC(=O)Nc2ccc(cc2)C(=O)OCCCC)nc(n1)SCC(=O)Nc1ccc(cc1)C(=O)OCCCC
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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 C42H48N6O9S3 MW 877.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H48N6O9S3/c1-4-7-22-55-37(52)28-10-16-31(17-11-28)43-34(49)25-58-40-46-41(59-26-35(50)44-32-18-12-29(13-19-32)38(53)56-23-8-5-2)48-42(47-40)60-27-36(51)45-33-20-14-30(15-21-33)39(54)57-24-9-6-3/h10-21H,4-9,22-27H2,1-3H3,(H,43,49)(H,44,50)(H,45InChIKey
SCHCPKQJLWWSCC-UHFFFAOYSA-NSynonyms
BUTYL4((2((46BIS((2(4BUTOXYCARBONYLANILINO)2OXOETHYL)SULFANYL)135TRIAZIN2YL)SULFANYL)ACETYL)AMINO)BENZOATE
BUTYL4(2(46BIS((N(4(BUTOXYCARBONYL)PHENYL)CARBAMOYL)METHYLTHIO)135TRIAZIN2YLTHIO)ACETYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)OCCCC)SCC(=O)NC4=CC=C(C=C4)C(=O)OCCCC
InChI=1SC42H48N6O9S3c147225537(52)28101631(171128)4334(49)2558404641(592635(50)4432181229(131932)38(53)5623852)4842(4740)602736(51)4533201430(152133)39(54)5724963h1021H492227H213H3(H4349)(H4450)(H4551)
MFCD00787979
tributyl444(135triazine246triyltris(sulfanediyl(1oxoethane21diyl)imino))tribenzoate
ZINC000150350568
ZINC150350568
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.