Vitas-M small molecule compound

3-phenylpropyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside

Catalog ID
STL510933
SMILES CC(=O)OC[C@H]1O[C@@H](OCCCc2ccccc2)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=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 C23H31NO9 MW 465.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO9/c1-14(25)24-20-22(32-17(4)28)21(31-16(3)27)19(13-30-15(2)26)33-23(20)29-12-8-11-18-9-6-5-7-10-18/h5-7,9-10,19-23H,8,11-13H2,1-4H3,(H,24,25)/t19-,20-,21-,22-,23-/m1/s1
InChIKey
QXLOEENEEZXYQZ-GNJRFXKQSA-N
Synonyms

((2~(R)3~(S)4~(R)5~(R)6~(R))5acetamido34diacetyloxy6(3phenylpropoxy)oxan2yl)methylacetate
(2R3S4R5R6R)5acetamido2(acetoxymethyl)6(3phenylpropoxy)tetrahydro2Hpyran34diyldiacetate
16396326
3PHENYLPROPYL2ACETAMIDO346TRIOACETYL2DEOXYBETADGLUCOPYRANOSIDE
3phenylpropyl346triOacetyl2(acetylamino)2deoxybetaDglucopyranoside
CC(=O)OC(C@H)1O(C@@H)(OCCCc2ccccc2)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)NC(=O)C
InChI=1SC23H31NO9c114(25)242022(3217(4)28)21(3116(3)27)19(133015(2)26)3323(20)29128111896571018h579101923H81113H214H3(H2425)t1920212223m1s1
MFCD01549649
PHENYLPROPYL2ACETAMIDO346TRIOACETYL2DEOXYBDGLUCOPYRANOSIDE
PHENYLPROPYL2ACETAMIDO346TRIOACETYL2DEOXYBETADGLUCOPYRANOSIDE
ZINC000012658047
ZINC12658047

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Available files

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