Vitas-M small molecule compound

1,3,4,6-tetra-O-acetyl-2-deoxy-2-{[7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)heptanoyl]amino}-alpha-D-glucopyranose

Catalog ID
STL524474
SMILES CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)CCCCCCN1C(=O)c2c(C1=O)cccc2

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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 C29H36N2O12 MW 604.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O12/c1-16(32)39-15-22-25(40-17(2)33)26(41-18(3)34)24(29(43-22)42-19(4)35)30-23(36)13-7-5-6-10-14-31-27(37)20-11-8-9-12-21(20)28(31)38/h8-9,11-12,22,24-26,29H,5-7,10,13-15H2,1-4H3,(H,30,36)/t22-,24-,25-,26-,29+/m1/s1
InChIKey
QNUXZEWIJXLGKZ-JJMUUSAGSA-N
Synonyms
956975-63-6
((2~(R)3~(S)4~(R)5~(R)6~(R))346triacetyloxy5(7(13dioxoisoindol2yl)heptanoylamino)oxan2yl)methylacetate
(2R3R4R5S6R)6(acetoxymethyl)3(7(13dioxoisoindolin2yl)heptanamido)tetrahydro2Hpyran245triyltriacetate
1346tetraOacetyl2deoxy2((7(13dioxo13dihydro2Hisoindol2yl)heptanoyl)amino)alphaDglucopyranose
16396864
956975636
CC(=O)OC(C@H)1O(C@H)(OC(=O)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)NC(=O)CCCCCCN1C(=O)c2c(C1=O)cccc2
InChI=1SC29H36N2O12c116(32)39152225(4017(2)33)26(4118(3)34)24(29(4322)4219(4)35)3023(36)1375610143127(37)2011891221(20)28(31)38h89111222242629H57101315H214H3(H3036)t2224252629+m1s1
MFCD02059601
ZINC000070670062
ZINC70670062

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Available files

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