Vitas-M small molecule compound

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 4-O-(6-deoxy-beta-D-gulopyranosyl)-beta-D-galactopyranoside

Catalog ID
STK007500
SMILES OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](C)[C@@H]([C@H]([C@H]1O)O)O)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 C27H30O16 MW 610.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30O16/c1-8-17(33)19(35)21(37)26(39-8)42-24-15(7-28)41-27(22(38)20(24)36)43-25-18(34)16-13(32)5-10(29)6-14(16)40-23(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-22,24,26-33,35-38H,7H2,1H3/t8-,15-,17+,19-,20-,21-,22-,24+,26+,27+/m1/s1
InChIKey
SKOCCRDVSSOREC-IFHHWCCPSA-N
Synonyms

2(34DIHYDROXYPHENYL)57DIHYDROXY4OXO4HCHROMEN3YL4O(6DEOXYBETADGULOPYRANOSYL)BETADGALACTOPYRANOSIDE
3(((2S3R4R5R6R)34dihydroxy6(hydroxymethyl)5(((2S3R4R5R6R)345trihydroxy6methyltetrahydro2Hpyran2yl)oxy)tetrahydro2Hpyran2yl)oxy)2(34dihydroxyphenyl)57dihydroxy4Hchromen4one
3((2S3R4R5R6R)34dihydroxy6(hydroxymethyl)5((2S3R4R5R6R)345trihydroxy6methyloxan2yl)oxyoxan2yl)oxy2(34dihydroxyphenyl)57dihydroxychromen4one
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O
InChI=1SC27H30O16c1817(33)19(35)21(37)26(398)422415(728)4127(22(38)20(24)36)432518(34)1613(32)510(29)614(16)4023(25)92311(30)12(31)49h268151719222426333538H7H21H3t81517+1920212224+26+27+m1s1
MFCD13368269
OC(C@H)1O(C@@H)(Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)(C@@H)((C@H)((C@H)1O(C@@H)1O(C@H)(C)(C@@H)((C@H)((C@H)1O)O)O)O)O
STK007500
ZINC000079183226
ZINC79183226

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Available files

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