Vitas-M small molecule compound

4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

Catalog ID
STK177206
SMILES CN(C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)cccc2O)O)O)C

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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 C22H24N2O8 MW 444.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)
InChIKey
OFVLGDICTFRJMM-UHFFFAOYSA-N
Synonyms

(4S4aS5aS6R12aS)4(dimethylamino)36101212apentahydroxy6methyl111dioxo144a55a61112aoctahydrotetracene2carboxamide
4(dimethylamino)36101212apentahydroxy6methyl111dioxo144a55a61112aoctahydrotetracene2carboxamide
CN((C@@H)1C(=C(C(=O)N)C(=O)(C@@)2((C@H)1C(C@H)1C(=C2O)C(=O)c2c((C@)1(C)O)cccc2O)O)O)C
MFCD00066847
ZINC000004059755
ZINC000239173596

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Available files

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