Vitas-M small molecule compound
3,4,6-tri-O-acetyl-2-({[4-(acetyloxy)phenyl]carbonyl}amino)-2-deoxy-1-O-(phenylacetyl)-D-glucopyranose
Catalog ID
STL526122
SMILES CC(=O)O[C@@H]1[C@@H](NC(=O)c2ccc(cc2)OC(=O)C)C(OC(=O)Cc2ccccc2)O[C@@H]([C@H]1OC(=O)C)COC(=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 C29H31NO12 MW 585.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO12/c1-16(31)37-15-23-26(39-18(3)33)27(40-19(4)34)25(29(41-23)42-24(35)14-20-8-6-5-7-9-20)30-28(36)21-10-12-22(13-11-21)38-17(2)32/h5-13,23,25-27,29H,14-15H2,1-4H3,(H,30,36)/t23-,25-,26-,27-,29?/m1/s1InChIKey
UKPWCZKLSZPHDA-HPKNAAQHSA-NSynonyms
((3~(R)4~(R)5~(S)6~(R))45diacetyloxy3((4acetyloxybenzoyl)amino)6(acetyloxymethyl)oxan2yl)2phenylacetate
(2R3S4R5R6R)5(4acetoxybenzamido)2(acetoxymethyl)6(2phenylacetoxy)tetrahydro2Hpyran34diyldiacetate
135639131
346triOacetyl2(((4(acetyloxy)phenyl)carbonyl)amino)2deoxy1O(phenylacetyl)Dglucopyranose
CC(=O)O(C@@H)1(C@@H)(NC(=O)c2ccc(cc2)OC(=O)C)(C@@H)(OC(=O)Cc2ccccc2)O(C@@H)((C@H)1OC(=O)C)COC(=O)C
InChI=1SC29H31NO12c116(31)37152326(3918(3)33)27(4019(4)34)25(29(4123)4224(35)14208657920)3028(36)21101222(131121)3817(2)32h51323252729H1415H214H3(H3036)t2325262729?m1s1
MFCD02184894
ZINC000070672404
ZINC001772492105
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