Vitas-M small molecule compound
[(1aR,2S,3aS,5S,5aR)-1a-(hexopyranosyloxy)-5-hydroxy-2-methyltetrahydro-1H-2,5-methano-3,4-dioxacyclobuta[cd]pentalen-5b(3aH)-yl]methyl benzoate
Catalog ID
STL566217
SMILES OCC1OC(O[C@@]23C[C@H]4C3(COC(=O)c3ccccc3)C3O[C@@]2(C)C[C@@]4(O3)O)C(C(C1O)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 C23H28O11 MW 480.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12?,13-,14?,15?,16?,18?,19?,20+,21?,22+,23+/m1/s1InChIKey
YKRGDOXKVOZESV-AJUKHGGISA-NSynonyms
((1aR2S3aS5S5aR)1a(hexopyranosyloxy)5hydroxy2methyltetrahydro1H25methano34dioxacyclobuta(cd)pentalen5b(3aH)yl)methylbenzoate
((2S2aR2a1S3aR4S5aR)4hydroxy2methyl2a(((2S3R4S5S6R)345trihydroxy6(hydroxymethyl)tetrahydro2Hpyran2yl)oxy)hexahydro2H15dioxa24methanocyclobuta(cd)pentalen2a1yl)methylbenzoate
MFCD03850315
OC(C@H)1O(C@@H)(O(C@@)23C(C@@H)4C3(COC(=O)c3ccccc3)(C@H)3O(C@@)2(C)C(C@@)4(O3)O)(C@@H)((C@H)((C@@H)1O)O)O
ZINC001848443876
ZINC001848443877
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