Vitas-M small molecule compound

4-methyl-6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-yl beta-D-glucopyranoside

Catalog ID
STL460042
SMILES OC[C@H]1O[C@@H](Oc2ccc3c(c2C)oc(=O)c2c3CCCCC2)[C@@H]([C@H]([C@@H]1O)O)O

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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 C21H26O8 MW 406.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26O8/c1-10-14(27-21-18(25)17(24)16(23)15(9-22)28-21)8-7-12-11-5-3-2-4-6-13(11)20(26)29-19(10)12/h7-8,15-18,21-25H,2-6,9H2,1H3/t15-,16-,17+,18-,21-/m1/s1
InChIKey
XMAZBNRXXKJBCE-ZIKOTGLESA-N
Synonyms
768382-44-1
4methyl3(((2S3R4S5S6R)345trihydroxy6(hydroxymethyl)tetrahydro2Hpyran2yl)oxy)891011tetrahydrocyclohepta(c)chromen6(7H)one
4methyl3((2S3R4S5S6R)345trihydroxy6(hydroxymethyl)oxan2yl)oxy891011tetrahydro7Hcyclohepta(c)chromen6one
4methyl6oxo67891011hexahydrocyclohepta(c)chromen3ylbetaDglucopyranoside
768382441
CC1=C(C=CC2=C1OC(=O)C3=C2CCCCC3)OC4C(C(C(C(O4)CO)O)O)O
InChI=1SC21H26O8c11014(272118(25)17(24)16(23)15(922)2821)8712115324613(11)20(26)2919(10)12h7815182125H269H21H3t151617+1821m1s1
MFCD05676645
OC(C@H)1O(C@@H)(Oc2ccc3c(c2C)oc(=O)c2c3CCCCC2)(C@@H)((C@H)((C@@H)1O)O)O
ZINC000004082083
ZINC04082083
ZINC4082083

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Available files

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