Vitas-M small molecule compound

6-oxo-6H-benzo[c]chromen-3-yl 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranoside

Catalog ID
STL460047
SMILES CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)c2c3cccc2)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=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 C27H26O12 MW 542.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26O12/c1-13(28)33-12-22-23(34-14(2)29)24(35-15(3)30)25(36-16(4)31)27(39-22)37-17-9-10-19-18-7-5-6-8-20(18)26(32)38-21(19)11-17/h5-11,22-25,27H,12H2,1-4H3/t22-,23+,24+,25-,27-/m1/s1
InChIKey
HZYSZWJYEHVREB-SRFJDDQZSA-N
Synonyms
1474056-69-3
((2R3S4S5R6S)345triacetyloxy6(6oxobenzo(c)chromen3yl)oxyoxan2yl)methylacetate
(2R3R4S5R6S)2(acetoxymethyl)6((6oxo6Hbenzo(c)chromen3yl)oxy)tetrahydro2Hpyran345triyltriacetate
1474056693
6oxo6Hbenzo(c)chromen3yl2346tetraOacetylbetaDgalactopyranoside
CC(=O)OC(C@H)1O(C@@H)(Oc2ccc3c(c2)oc(=O)c2c3cccc2)(C@@H)((C@H)((C@H)1OC(=O)C)OC(=O)C)OC(=O)C
CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3)OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC27H26O12c113(28)33122223(3414(2)29)24(3515(3)30)25(3616(4)31)27(3922)37179101918756820(18)26(32)3821(19)1117h511222527H12H214H3t2223+24+2527m1s1
MFCD05675295
ZINC000070691733
ZINC70691733

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.