Vitas-M small molecule compound

4-[6,8-bis(azepan-1-ylmethyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]phenyl hexopyranoside

Catalog ID
STL035069
SMILES OCC1OC(Oc2ccc(cc2)c2coc3c(c2=O)c(O)c(c(c3CN2CCCCCC2)O)CN2CCCCCC2)C(C(C1O)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 C35H46N2O10 MW 654.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H46N2O10/c38-19-26-31(42)32(43)33(44)35(47-26)46-22-11-9-21(10-12-22)25-20-45-34-24(18-37-15-7-3-4-8-16-37)28(39)23(29(40)27(34)30(25)41)17-36-13-5-1-2-6-14-36/h9-12,20,26,31-33,35,38-40,42-44H,1-8,13-19H2
InChIKey
LBACSYOIVLDBSI-UHFFFAOYSA-N
Synonyms

4(68bis(azepan1ylmethyl)57dihydroxy4oxo4Hchromen3yl)phenylhexopyranoside
68bis(azepan1ylmethyl)57dihydroxy3(4(345trihydroxy6(hydroxymethyl)oxan2yl)oxyphenyl)chromen4one
C1CCCN(CC1)CC2=C(C3=C(C(=C2O)CN4CCCCCC4)OC=C(C3=O)C5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O
InChI=1SC35H46N2O10c38192631(42)32(43)33(44)35(4726)462211921(101222)2520453424(18371573481637)28(39)23(29(40)27(34)30(25)41)17361351261436h912202631333538404244H181319H2
MFCD18191975
ZINC000253531254
ZINC000253531255

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Available files

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