Vitas-M small molecule compound
6,7-dichloro-3-ethyl-5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside
Catalog ID
STL565357
SMILES CCC1=C(O[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c2c(C1=O)c(O)c(c(c2O)Cl)Cl
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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 C26H26Cl2O14 MW 633.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26Cl2O14/c1-6-12-18(33)14-15(20(35)17(28)16(27)19(14)34)21(36)22(12)42-26-25(40-11(5)32)24(39-10(4)31)23(38-9(3)30)13(41-26)7-37-8(2)29/h13,23-26,34-35H,6-7H2,1-5H3/t13-,23-,24+,25-,26+/m1/s1InChIKey
CZUNPHDKOQTAAB-ZELDCSPKSA-NSynonyms
956999-48-7((2R3R4S5R6S)345triacetyloxy6(67dichloro3ethyl58dihydroxy14dioxonaphthalen2yl)oxyoxan2yl)methylacetate
(2R3R4S5R6S)2(acetoxymethyl)6((67dichloro3ethyl58dihydroxy14dioxo14dihydronaphthalen2yl)oxy)tetrahydro2Hpyran345triyltriacetate
16395984
67dichloro3ethyl58dihydroxy14dioxo14dihydronaphthalen2yl2346tetraOacetylbetaDglucopyranoside
956999487
CCC1=C(O(C@@H)2O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)2OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c2c(C1=O)c(O)c(c(c2O)Cl)Cl
InChI=1SC26H26Cl2O14c161218(33)1415(20(35)17(28)16(27)19(14)34)21(36)22(12)422625(4011(5)32)24(3910(4)31)23(389(3)30)13(4126)7378(2)29h1323263435H67H215H3t132324+2526+m1s1
MFCD32651643
ZINC000079183223
Check stock
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Check stock on Vitas-MAvailable files
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