Vitas-M small molecule compound

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-[(2,3,4,6-tetra-O-acetyl-L-glucopyranosyl)oxy]benzamide

Catalog ID
STL524456
SMILES COc1cc(ccc1OC1O[C@@H](COC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)C(=O)NCC1OCCc2c1cccc2

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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 C32H37NO13 MW 643.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO13/c1-17(34)41-16-27-28(42-18(2)35)29(43-19(3)36)30(44-20(4)37)32(46-27)45-24-11-10-22(14-25(24)39-5)31(38)33-15-26-23-9-7-6-8-21(23)12-13-40-26/h6-11,14,26-30,32H,12-13,15-16H2,1-5H3,(H,33,38)/t26?,27-,28-,29+,30-,32?/m0/s1
InChIKey
MDJQNVLLOYHRIM-LVFDLURPSA-N
Synonyms
1192058-98-2
((2~(S)3~(S)4~(R)5~(S))345triacetyloxy6(4(34dihydro1~(H)isochromen1ylmethylcarbamoyl)2methoxyphenoxy)oxan2yl)methylacetate
(2S3S4R5S)2(acetoxymethyl)6(4((isochroman1ylmethyl)carbamoyl)2methoxyphenoxy)tetrahydro2Hpyran345triyltriacetate
1192058982
16396034
COc1cc(ccc1OC1O(C@@H)(COC(=O)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C)C(=O)NCC1OCCc2c1cccc2
InChI=1SC32H37NO13c117(34)41162728(4218(2)35)29(4319(3)36)30(4420(4)37)32(4627)4524111022(1425(24)395)31(38)33152623976821(23)12134026h61114263032H12131516H215H3(H3338)t26?272829+3032?m0s1
MFCD01547409
N(34dihydro1Hisochromen1ylmethyl)3methoxy4((2346tetraOacetylLglucopyranosyl)oxy)benzamide
ZINC000079183237
ZINC000079183241

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Available files

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