Vitas-M small molecule compound

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

Catalog ID
STL460039
SMILES CC(=O)OC[C@H]1O[C@@H](Oc2cc3oc(=O)c4c(c3cc2Cl)cccc4)[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 C27H25ClO12 MW 576.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClO12/c1-12(29)34-11-22-23(35-13(2)30)24(36-14(3)31)25(37-15(4)32)27(40-22)39-21-10-20-18(9-19(21)28)16-7-5-6-8-17(16)26(33)38-20/h5-10,22-25,27H,11H2,1-4H3/t22-,23-,24+,25-,27-/m1/s1
InChIKey
XXRPMXPYXTZFAD-ZANOAUCBSA-N
Synonyms

((2R3R4S5R6S)345triacetyloxy6(2chloro6oxobenzo(c)chromen3yl)oxyoxan2yl)methylacetate
(2S3S4R5S6R)2(acetoxymethyl)6((2chloro6oxo6Hbenzo(c)chromen3yl)oxy)tetrahydro2Hpyran345triyltriacetate
2chloro6oxo6Hbenzo(c)chromen3yl2346tetraOacetylbetaDglucopyranoside
CC(=O)OC(C@@H)1O(C@H)(Oc2cc3oc(=O)c4c(c3cc2Cl)cccc4)(C@@H)((C@H)((C@H)1OC(=O)C)OC(=O)C)OC(=O)C
CC(=O)OC(C@H)1O(C@@H)(Oc2cc3oc(=O)c4c(c3cc2Cl)cccc4)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C
CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C3C4=CC=CC=C4C(=O)OC3=C2)Cl)OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC27H25ClO12c112(29)34112223(3513(2)30)24(3614(3)31)25(3715(4)32)27(4022)3921102018(919(21)28)16756817(16)26(33)3820h510222527H11H214H3t222324+2527m1s1
MFCD32649588
ZINC000103643362
ZINC103643362

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Available files

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