Vitas-M small molecule compound

4-methyl-2-oxo-3,8a-dihydro-2H-chromen-7-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside

Catalog ID
STK379900
SMILES OC[C@H]1O[C@@H](OC2=CC3C(=C(C)CC(=O)O3)C=C2)[C@@H]([C@H]([C@@H]1O)O)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 C18H23NO8 MW 381.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-4,6,12-13,15-18,20,23-24H,5,7H2,1-2H3,(H,19,21)/t12?,13-,15-,16-,17-,18-/m1/s1
InChIKey
MENWXWKPIZQEAC-KPJFYUGSSA-N
Synonyms

4methyl2oxo38adihydro2Hchromen7yl2(acetylamino)2deoxybetaDglucopyranoside
CC1=C2C=CC(=CC2OC(=O)C1)OC3C(C(C(C(O3)CO)O)O)NC(=O)C
InChI=1SC18H23NO8c18514(22)2612610(3411(8)12)251815(199(2)21)17(24)16(23)13(720)2718h34612131518202324H57H212H3(H1921)t12?1315161718m1s1
MFCD13368849
N((2S3R4R5S6R)45dihydroxy6(hydroxymethyl)2((4methyl2oxo38adihydrochromen7yl)oxy)oxan3yl)acetamide
OC(C@H)1O(C@@H)(OC2=CC3C(=C(C)CC(=O)O3)C=C2)(C@@H)((C@H)((C@@H)1O)O)NC(=O)C
ZINC000004506709
ZINC000004506711

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Available files

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