Vitas-M small molecule compound

2,2'-bis(3-methoxypropyl)-1,1',3,3'-tetraoxo-2,2',3,3'-tetrahydro-1H,1'H-6,6'-bibenzo[de]isoquinoline-7,7'-dicarboxylic acid

Catalog ID
STK367376
SMILES COCCCn1c(=O)c2ccc(c3c2c(c1=O)ccc3C(=O)O)c1ccc2c3c1c(ccc3c(=O)n(c2=O)CCCOC)C(=O)O

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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 C34H28N2O10 MW 624.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28N2O10/c1-45-15-3-13-35-29(37)19-7-5-17(25-23(33(41)42)11-9-21(27(19)25)31(35)39)18-6-8-20-28-22(10-12-24(26(18)28)34(43)44)32(40)36(30(20)38)14-4-16-46-2/h5-12H,3-4,13-16H2,1-2H3,(H,41,42)(H,43,44)
InChIKey
LSTWQOBOFXTTJF-UHFFFAOYSA-N
Synonyms

22bis(3methoxypropyl)1133tetraoxo2233tetrahydro1H1H66bibenzo(de)isoquinoline77dicarboxylicacid
7(7CARBOXY2(3METHOXYPROPYL)13DIOXOBENZO(DE)ISOQUINOLIN6YL)2(3METHOXYPROPYL)13DIOXOBENZO(DE)ISOQUINOLINE6CARBOXYLICACID
COCCCN1C(=O)C2=C3C(=CC=C(C3=C(C=C2)C4=C5C(=CC=C6C5=C(C=C4)C(=O)N(C6=O)CCCOC)C(=O)O)C(=O)O)C1=O
InChI=1SC34H28N2O10c145153133529(37)197517(2523(33(41)42)11921(27(19)25)31(35)39)1868202822(101224(26(18)28)34(43)44)32(40)36(30(20)38)14416462h512H341316H212H3(H4142)(H4344)
MFCD00308916
ZINC000004016084
ZINC4016084

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Available files

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