Vitas-M small molecule compound
2,7-dibutyl-9,10-dioxo-4,5-bis({[4-(4-pentylcyclohexyl)phenyl]carbonyl}amino)-9,10-dihydroanthracene-1,8-diyl dibutanoate
Catalog ID
STK070932
SMILES CCCCCC1CCC(CC1)c1ccc(cc1)C(=O)Nc1cc(CCCC)c(c2c1C(=O)c1c(cc(c(c1C2=O)OC(=O)CCC)CCCC)NC(=O)c1ccc(cc1)C1CCC(CC1)CCCCC)OC(=O)CCC
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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 C66H86N2O8 MW 1035.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C66H86N2O8/c1-7-13-17-21-43-25-29-45(30-26-43)47-33-37-49(38-34-47)65(73)67-53-41-51(23-15-9-3)63(75-55(69)19-11-5)59-57(53)61(71)58-54(42-52(24-16-10-4)64(60(58)62(59)72)76-56(70)20-12-6)68-66(74)50-39-35-48(36-40-50)46-31-27-44(28-32-46)22-18-1InChIKey
CKKKWYPGGFDUDE-UHFFFAOYSA-NSynonyms
(8BUTANOYLOXY27DIBUTYL910DIOXO45BIS((4(4PENTYLCYCLOHEXYL)BENZOYL)AMINO)ANTHRACEN1YL)BUTANOATE
27DIBUTYL910DIOXO45BIS(((4(4PENTYLCYCLOHEXYL)PHENYL)CARBONYL)AMINO)910DIHYDROANTHRACENE18DIYLDIBUTANOATE
CCCCCC1CCC(CC1)c1ccc(cc1)C(=O)Nc1cc(CCCC)c(c2c1C(=O)c1c(cc(c(c1C2=O)OC(=O)CCC)CCCC)NC(=O)c1ccc(cc1)C1CCC(CC1)CCCCC)OC(=O)CCC
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)NC3=C4C(=C(C(=C3)CCCC)OC(=O)CCC)C(=O)C5=C(C(=CC(=C5C4=O)NC(=O)C6=CC=C(C=C6)C7CCC(CC7)CCCCC)CCCC)OC(=O)CCC
InChI=1SC66H86N2O8c1713172143252945(302643)47333749(383447)65(73)67534151(231593)63(7555(69)19115)5957(53)61(71)5854(4252(2416104)64(60(58)62(59)72)7656(70)20126)6866(74)50393548(364050)46312744(283246)22181482h3346H732H216H3(H6773)(H6874)
MFCD08051961
STK070932
ZINC150409698
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