Vitas-M small molecule compound
2-(4-methoxyphenyl)-2-oxoethyl 4,6-di-O-acetyl-2,3-di-O-prop-1-en-2-yl-1-thio-beta-D-glucopyranoside
Catalog ID
STL537870
SMILES COc1ccc(cc1)C(=O)CS[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=C)C)OC(=C)C)OC(=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 C25H32O9S MW 508.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32O9S/c1-14(2)31-23-22(33-17(6)27)21(12-30-16(5)26)34-25(24(23)32-15(3)4)35-13-20(28)18-8-10-19(29-7)11-9-18/h8-11,21-25H,1,3,12-13H2,2,4-7H3/t21-,22-,23+,24-,25+/m1/s1InChIKey
KWPXFPAQCORQMB-RXFVIIJJSA-NSynonyms
956970-40-4((2~(R)3~(R)4~(S)5~(R)6~(S))3acetyloxy6(2(4methoxyphenyl)2oxoethyl)sulfanyl45bis(prop1en2yloxy)oxan2yl)methylacetate
16406201
2(4methoxyphenyl)2oxoethyl46diOacetyl23diOprop1en2yl1thiobetaDglucopyranoside
956970404
InChI=1SC25H32O9Sc114(2)312322(3317(6)27)21(123016(5)26)3425(24(23)3215(3)4)351320(28)1881019(297)11918h8112125H131213H2247H3t212223+2425+m1s1
MFCD07637508
ZINC000012889267
ZINC12889267
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