Vitas-M small molecule compound

N,N'-(hexane-1,6-diylbis{imino[(7S)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalene-10,7-diyl]})diacetamide

Catalog ID
STL525048
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCCNc2ccc3c(cc2=O)[C@H](CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)NC(=O)C)cc(c1OC)OC

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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 C48H58N4O10 MW 851.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H58N4O10/c1-27(53)51-35-17-13-29-23-41(57-3)45(59-5)47(61-7)43(29)31-15-19-37(39(55)25-33(31)35)49-21-11-9-10-12-22-50-38-20-16-32-34(26-40(38)56)36(52-28(2)54)18-14-30-24-42(58-4)46(60-6)48(62-8)44(30)32/h15-16,19-20,23-26,35-36H,9-14,17-18,2
InChIKey
UFHDLEVLWORPKO-ZPGRZCPFSA-N
Synonyms
1212419-08-3
~(N)((7~(S))10(6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexylamino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1212419083
16396384
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCCCCNc2ccc3c(cc2=O)(C@@H)(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)NC(=O)C)cc(c1OC)OC
InChI=1SC48H58N4O10c127(53)51351713292341(573)45(595)47(617)43(29)31151937(39(55)2533(31)35)4921119101222503820163234(2640(38)56)36(5228(2)54)1814302442(584)46(606)48(628)44(30)32h1516192023263536H91417182122H218H3(H4955)(H5056)(H5153)(H5254)t3536m0s
MFCD01845148
N((R)10((6(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
NN(hexane16diylbis(imino((7S)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalene107diyl)))diacetamide
ZINC000085888663
ZINC85888663

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Available files

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