Vitas-M small molecule compound
methyl 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-methylbutanoate
Catalog ID
STL525043
SMILES COC(=O)C(C(C)C)NC(=O)C1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)C(C([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 C27H29NO12 MW 559.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO12/c1-11(2)18(26(36)37-3)28-25(35)24-22(33)21(32)23(34)27(40-24)39-16-10-15-17(20(31)19(16)30)13(29)9-14(38-15)12-7-5-4-6-8-12/h4-11,18,21-24,27,30-34H,1-3H3,(H,28,35)/t18?,21?,22-,23?,24?,27+/m0/s1InChIKey
WKBWYWJYOAONEI-DNLPYVAHSA-NSynonyms
(S)methyl2((2S3S4S5R6S)6((56dihydroxy4oxo2phenyl4Hchromen7yl)oxy)345trihydroxytetrahydro2Hpyran2carboxamido)3methylbutanoate
135639008
COC(=O)(C@H)(C(C)C)NC(=O)(C@H)1O(C@@H)(Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)(C@@H)((C@H)((C@@H)1O)O)O
InChI=1SC27H29NO12c111(2)18(26(36)373)2825(35)2422(33)21(32)23(34)27(4024)3916101517(20(31)19(16)30)13(29)914(3815)127546812h411182124273034H13H3(H2835)t18?21?2223?24?27+m0s1
methyl2(((3~(S)6~(S))6(56dihydroxy4oxo2phenylchromen7yl)oxy345trihydroxyoxane2carbonyl)amino)3methylbutanoate
ZINC001772491697
ZINC001772491700
Check stock
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