Vitas-M small molecule compound
4-[(1E)-3-(1H-benzimidazol-2-yl)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl beta-D-galactopyranoside
Catalog ID
STL539832
SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2OC)/C=C/C(=O)c2nc3c([nH]2)cccc3)[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 C23H24N2O8 MW 456.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O8/c1-31-17-10-12(6-8-15(27)22-24-13-4-2-3-5-14(13)25-22)7-9-16(17)32-23-21(30)20(29)19(28)18(11-26)33-23/h2-10,18-21,23,26,28-30H,11H2,1H3,(H,24,25)/b8-6+/t18-,19+,20+,21-,23-/m1/s1InChIKey
LBAAVQLOIVHFGE-WLVIPINRSA-NSynonyms
(~(E))1(1~(H)benzimidazol2yl)3(3methoxy4((2~(S)3~(R)4~(S)5~(R)6~(R))345trihydroxy6(hydroxymethyl)oxan2yl)oxyphenyl)prop2en1one
(E)1(1Hbenzo(d)imidazol2yl)3(3methoxy4(((2S3R4S5R6R)345trihydroxy6(hydroxymethyl)tetrahydro2Hpyran2yl)oxy)phenyl)prop2en1one
4((1E)3(1Hbenzimidazol2yl)3oxoprop1en1yl)2methoxyphenylbetaDgalactopyranoside
71755220
InChI=1SC23H24N2O8c131171012(6815(27)222413423514(13)2522)7916(17)322321(30)20(29)19(28)18(1126)3323h210182123262830H11H21H3(H2425)b86+t1819+20+2123m1s1
OC(C@H)1O(C@@H)(Oc2ccc(cc2OC)C=CC(=O)c2nc3c((nH)2)cccc3)(C@@H)((C@H)((C@H)1O)O)O
ZINC000085879442
ZINC85879442
Check stock
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