Vitas-M small molecule compound
4,5-bis{[(4-butylphenyl)carbonyl]amino}-2-methyl-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl bis(4-butylbenzoate)
Catalog ID
STK096600
SMILES CCCCc1ccc(cc1)C(=O)Nc1ccc(c2c1C(=O)c1c(NC(=O)c3ccc(cc3)CCCC)cc(c(c1C2=O)OC(=O)c1ccc(cc1)CCCC)C)OC(=O)c1ccc(cc1)CCCC
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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 C59H60N2O8 MW 925.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C59H60N2O8/c1-6-10-14-38-18-26-42(27-19-38)56(64)60-46-34-35-48(68-58(66)44-30-22-40(23-31-44)16-12-8-3)51-49(46)53(62)50-47(61-57(65)43-28-20-39(21-29-43)15-11-7-2)36-37(5)55(52(50)54(51)63)69-59(67)45-32-24-41(25-33-45)17-13-9-4/h18-36H,6-17H2,InChIKey
WTKQLGCLQIRHHE-UHFFFAOYSA-NSynonyms
(45BIS((4BUTYLBENZOYL)AMINO)8(4BUTYLBENZOYL)OXY7METHYL910DIOXOANTHRACEN1YL)4BUTYLBENZOATE
45BIS(((4BUTYLPHENYL)CARBONYL)AMINO)2METHYL910DIOXO910DIHYDROANTHRACENE18DIYLBIS(4BUTYLBENZOATE)
CCCCC1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)OC(=O)C4=CC=C(C=C4)CCCC)C(=O)C5=C(C(=CC(=C5C3=O)NC(=O)C6=CC=C(C=C6)CCCC)C)OC(=O)C7=CC=C(C=C7)CCCC
CCCCc1ccc(cc1)C(=O)Nc1ccc(c2c1C(=O)c1c(NC(=O)c3ccc(cc3)CCCC)cc(c(c1C2=O)OC(=O)c1ccc(cc1)CCCC)C)OC(=O)c1ccc(cc1)CCCC
InChI=1SC59H60N2O8c16101438182642(271938)56(64)6046343548(6858(66)44302240(233144)161283)5149(46)53(62)5047(6157(65)43282039(212943)151172)3637(5)55(52(50)54(51)63)6959(67)45322441(253345)171394h1836H617H215H3(H6064)(H6165)
MFCD08679764
STK096600
ZINC000150417130
ZINC150417130
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