Vitas-M small molecule compound

6,8-bis{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-oxo-2-phenyl-4H-chromene-5,7-diolate

Catalog ID
STL514031
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])c(C[NH+]2CCN(CC2)CCO)c2c(c1[O-])c(=O)cc(o2)c1ccccc1

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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 C29H38N4O6 MW 538.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N4O6/c34-16-14-30-6-10-32(11-7-30)19-22-27(37)23(20-33-12-8-31(9-13-33)15-17-35)29-26(28(22)38)24(36)18-25(39-29)21-4-2-1-3-5-21/h1-5,18,34-35,37-38H,6-17,19-20H2
InChIKey
BLNYVUONFXTDPB-UHFFFAOYSA-N
Synonyms
384364-61-8
3453009
384364618
68bis((4(2hydroxyethyl)piperazin1ium1yl)methyl)4oxo2phenyl4Hchromene57diolate
MFCD03266296
ZINC000022854532

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.