Vitas-M small molecule compound

4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranoside

Catalog ID
STL460049
SMILES COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2C)O[C@@H]1O[C@H](COC(=O)C)[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 C31H32O13 MW 612.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32O13/c1-15-24(12-11-22-23(13-26(36)44-27(15)22)20-7-9-21(37-6)10-8-20)42-31-30(41-19(5)35)29(40-18(4)34)28(39-17(3)33)25(43-31)14-38-16(2)32/h7-13,25,28-31H,14H2,1-6H3/t25-,28+,29+,30-,31-/m1/s1
InChIKey
UUCRIJLFBUXYNN-PLZPULBCSA-N
Synonyms
889661-99-8
((2R3S4S5R6S)345triacetyloxy6(4(4methoxyphenyl)8methyl2oxochromen7yl)oxyoxan2yl)methylacetate
(2R3S4S5R6S)2(acetoxymethyl)6((4(4methoxyphenyl)8methyl2oxo2Hchromen7yl)oxy)tetrahydro2Hpyran345triyltriacetate
4(4methoxyphenyl)8methyl2oxo2Hchromen7yl2346tetraOacetylbetaDgalactopyranoside
889661998
CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2C)O(C@@H)1O(C@H)(COC(=O)C)(C@@H)((C@@H)((C@H)1OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC31H32O13c11524(12112223(1326(36)4427(15)22)207921(376)10820)423130(4119(5)35)29(4018(4)34)28(3917(3)33)25(4331)143816(2)32h713252831H14H216H3t2528+29+3031m1s1
MFCD05726267
ZINC000070699718
ZINC70699718

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Available files

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