Vitas-M small molecule compound
(2R)-tert-butyl 2-(2-((2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxamido)-3-methylbutanamido)-4-methylpentanoate
Catalog ID
STL565364
SMILES CC(C[C@H](C(=O)OC(C)(C)C)NC(=O)C(C(C)C)NC(=O)C1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)C(C([C@H]1O)O)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 C36H46N2O13 MW 714.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H46N2O13/c1-16(2)13-19(34(47)51-36(5,6)7)37-32(45)25(17(3)4)38-33(46)31-29(43)28(42)30(44)35(50-31)49-23-15-22-24(27(41)26(23)40)20(39)14-21(48-22)18-11-9-8-10-12-18/h8-12,14-17,19,25,28-31,35,40-44H,13H2,1-7H3,(H,37,45)(H,38,46)/t19-,25?,28?,InChIKey
GOOFZOQDLIMARN-FLXRBJDMSA-NSynonyms
(2R)tertbutyl2(2((2S3S4S5R6S)6((56dihydroxy4oxo2phenyl4Hchromen7yl)oxy)345trihydroxytetrahydro2Hpyran2carboxamido)3methylbutanamido)4methylpentanoate
44662163
CC(C(C@H)(C(=O)OC(C)(C)C)NC(=O)C(C(C)C)NC(=O)C1O(C@@H)(Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)C(C((C@@H)1O)O)O)C
InChI=1SC36H46N2O13c116(2)1319(34(47)5136(56)7)3732(45)25(17(3)4)3833(46)3129(43)28(42)30(44)35(5031)4923152224(27(41)26(23)40)20(39)1421(4822)181198101218h812141719252831354044H13H217H3(H3745)(H3846)t1925?28?29+30?31?35m1s1
MFCD32651645
tertbutyl(2R)2((2(((3S6S)6(56dihydroxy4oxo2phenylchromen7yl)oxy345trihydroxyoxane2carbonyl)amino)3methylbutanoyl)amino)4methylpentanoate
ZINC000150413654
ZINC000253487195
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.