Vitas-M small molecule compound

2,3,6-tri-O-acetyl-N-(thioxomethylidene)-4-O-(2,3,4-tri-O-acetyl-alpha-D-xylopyranosyl)-alpha-D-glucopyranosylamine

Catalog ID
STL524696
SMILES S=C=N[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O[C@H]1OC[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 C24H31NO15S MW 605.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO15S/c1-10(26)32-7-17-18(20(36-13(4)29)21(37-14(5)30)23(39-17)25-9-41)40-24-22(38-15(6)31)19(35-12(3)28)16(8-33-24)34-11(2)27/h16-24H,7-8H2,1-6H3/t16-,17-,18-,19+,20+,21-,22-,23+,24-/m1/s1
InChIKey
LDBDGWCMCWNUMC-MIPBUYQOSA-N
Synonyms
956567-40-1
((2~(R)3~(R)4~(S)5~(R)6~(S))45diacetyloxy6isothiocyanato3((2~(R)3~(R)4~(S)5~(R))345triacetyloxyoxan2yl)oxyoxan2yl)methylacetate
((2R3R4S5R6S)45DIACETYLOXY6ISOTHIOCYANATO3((2R3R4S5R)345TRIACETYLOXYOXAN2YL)OXYOXAN2YL)METHYLACETATE
(2R3R4S5R)2(((2R3R4S5R6S)45DIACETOXY2(ACETOXYMETHYL)6ISOTHIOCYANATOTETRAHYDRO2HPYRAN3YL)OXY)TETRAHYDRO2HPYRAN345TRIYLTRIACETATE
236triOacetylN(thioxomethylidene)4O(234triOacetylalphaDxylopyranosyl)alphaDglucopyranosylamine
7163180
956567401
InChI=1SC24H31NO15Sc110(26)3271718(20(3613(4)29)21(3714(5)30)23(3917)25941)402422(3815(6)31)19(3512(3)28)16(83324)3411(2)27h1624H78H216H3t16171819+20+212223+24m1s1
MFCD02059609
S=C=N(C@H)1O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)1OC(=O)C)OC(=O)C)O(C@H)1OC(C@H)((C@@H)((C@H)1OC(=O)C)OC(=O)C)OC(=O)C
ZINC000004273375
ZINC4273375

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Available files

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