Vitas-M small molecule compound

N-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-3-methoxy-4-[(2,3,4,6-tetra-O-acetyl-alpha-L-glucopyranosyl)oxy]benzamide

Catalog ID
STL525072
SMILES COc1cc(ccc1O[C@@H]1O[C@@H](COC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)C(=O)NC(C1COc2c(O1)cccc2)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 C32H37NO14 MW 659.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO14/c1-16(26-14-41-22-9-7-8-10-23(22)45-26)33-31(38)21-11-12-24(25(13-21)39-6)46-32-30(44-20(5)37)29(43-19(4)36)28(42-18(3)35)27(47-32)15-40-17(2)34/h7-13,16,26-30,32H,14-15H2,1-6H3,(H,33,38)/t16?,26?,27-,28-,29+,30-,32+/m0/s1
InChIKey
ZHZATSUJZMAMLO-FRXCUSBSSA-N
Synonyms
956952-38-8
((2~(S)3~(S)4~(R)5~(S)6~(S))345triacetyloxy6(4(1(23dihydro14benzodioxin3yl)ethylcarbamoyl)2methoxyphenoxy)oxan2yl)methylacetate
(2S3S4R5S6S)2(acetoxymethyl)6(4((1(23dihydrobenzo(b)(14)dioxin2yl)ethyl)carbamoyl)2methoxyphenoxy)tetrahydro2Hpyran345triyltriacetate
16395815
956952388
COc1cc(ccc1O(C@@H)1O(C@@H)(COC(=O)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C)C(=O)NC(C1COc2c(O1)cccc2)C
InChI=1SC32H37NO14c116(261441229781023(22)4526)3331(38)21111224(25(1321)396)463230(4420(5)37)29(4319(4)36)28(4218(3)35)27(4732)154017(2)34h71316263032H1415H216H3(H3338)t16?26?272829+3032+m0s1
MFCD01546470
N(1(23dihydro14benzodioxin2yl)ethyl)3methoxy4((2346tetraOacetylalphaLglucopyranosyl)oxy)benzamide
ZINC000085867645
ZINC000085867663

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Available files

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