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)-4-(methylthio)butanoate

Catalog ID
STL565449
SMILES CSCCC(C(=O)OC)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 C27H29NO12S MW 591.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO12S/c1-37-26(36)13(8-9-41-2)28-25(35)24-22(33)21(32)23(34)27(40-24)39-17-11-16-18(20(31)19(17)30)14(29)10-15(38-16)12-6-4-3-5-7-12/h3-7,10-11,13,21-24,27,30-34H,8-9H2,1-2H3,(H,28,35)/t13?,21?,22-,23?,24?,27+/m0/s1
InChIKey
OVFPMQHQVREOIF-DLUVBEMRSA-N
Synonyms

(S)methyl2((2S3S4S5R6S)6((56dihydroxy4oxo2phenyl4Hchromen7yl)oxy)345trihydroxytetrahydro2Hpyran2carboxamido)4(methylthio)butanoate
44661759
CSCC(C@@H)(C(=O)OC)NC(=O)C1OC(Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)C(C(C1O)O)O
InChI=1SC27H29NO12Sc13726(36)13(89412)2825(35)2422(33)21(32)23(34)27(4024)3917111618(20(31)19(17)30)14(29)1015(3816)126435712h371011132124273034H89H212H3(H2835)t13?21?2223?24?27+m0s1
methyl2(((3S6S)6(56dihydroxy4oxo2phenylchromen7yl)oxy345trihydroxyoxane2carbonyl)amino)4methylsulfanylbutanoate
ZINC000070681174
ZINC000253487727

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Available files

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