Vitas-M small molecule compound

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

Catalog ID
STK888097
SMILES OCC1OC(Oc2ccc(cc2)c2coc3c(c2=O)c(O)c(c(c3CN2CCOCC2)O)CN2CCOCC2)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 C31H38N2O12 MW 630.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2O12/c34-15-22-27(38)28(39)29(40)31(45-22)44-18-3-1-17(2-4-18)21-16-43-30-20(14-33-7-11-42-12-8-33)24(35)19(25(36)23(30)26(21)37)13-32-5-9-41-10-6-32/h1-4,16,22,27-29,31,34-36,38-40H,5-15H2
InChIKey
VFUPDGRCPOEQAB-UHFFFAOYSA-N
Synonyms

4(57dihydroxy68bis(morpholin4ylmethyl)4oxo4Hchromen3yl)phenylhexopyranoside
57DIHYDROXY68BIS(MORPHOLIN4YLMETHYL)3(4(345TRIHYDROXY6(HYDROXYMETHYL)OXAN2YL)OXYPHENYL)CHROMEN4ONE
57dihydroxy68bis(morpholinomethyl)3(4(((2S3R4S5S6R)345trihydroxy6(hydroxymethyl)tetrahydro2Hpyran2yl)oxy)phenyl)4Hchromen4one
68BIS(MORPHOLIN4IUM4YLMETHYL)4OXO3(4(345TRIHYDROXY6(HYDROXYMETHYL)OXAN2YL)OXYPHENYL)CHROMENE57DIOLATE
C1COCC(NH+)1CC2=C(C(=C3C(=C2(O))C(=O)C(=CO3)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)C(NH+)6CCOCC6)(O)
InChI=1SC31H38N2O12c34152227(38)28(39)29(40)31(4522)44183117(2418)2116433020(14337114212833)24(35)19(25(36)23(30)26(21)37)1332594110632h14162227293134363840H515H2
MFCD06668951
OC(C@H)1O(C@@H)(Oc2ccc(cc2)c2coc3c(c2=O)c(O)c(c(c3CN2CCOCC2)O)CN2CCOCC2)(C@@H)((C@H)((C@@H)1O)O)O
ZINC000253499730
ZINC000253499732

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Available files

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