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Vitas-M small molecule compound

N-(4-carboxyphenyl)-4-O-alpha-L-glucopyranosyl-alpha-D-glucopyranosylamine

Catalog ID
STK371105
SMILES OC[C@H]1O[C@H](Nc2ccc(cc2)C(=O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](CO)[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 C19H27NO12 MW 461.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27NO12/c21-5-9-11(23)12(24)15(27)19(31-9)32-16-10(6-22)30-17(14(26)13(16)25)20-8-3-1-7(2-4-8)18(28)29/h1-4,9-17,19-27H,5-6H2,(H,28,29)/t9-,10+,11-,12+,13+,14+,15-,16+,17-,19-/m0/s1
InChIKey
AFAYIWRMRJPNOB-XQBFPGQTSA-N
Synonyms

4(((2S3R4R5S6R)34DIHYDROXY6(HYDROXYMETHYL)5((2S3S4R5R6S)345TRIHYDROXY6(HYDROXYMETHYL)OXAN2YL)OXYOXAN2YL)AMINO)BENZOICACID
4(((2S3R4S5R6R)34dihydroxy6(hydroxymethyl)5(((2S3R4R5R6R)345trihydroxy6(hydroxymethyl)tetrahydro2Hpyran2yl)oxy)tetrahydro2Hpyran2yl)amino)benzoicacid
C1=CC(=CC=C1C(=O)O)NC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O
InChI=1SC19H27NO12c215911(23)12(24)15(27)19(319)321610(622)3017(14(26)13(16)25)208317(248)18(28)29h149171927H56H2(H2829)t910+1112+13+14+1516+1719m0s1
MFCD00325675
N(4carboxyphenyl)4OalphaLglucopyranosylalphaDglucopyranosylamine
OC(C@H)1O(C@H)(Nc2ccc(cc2)C(=O)O)(C@@H)((C@@H)(C1O(C@@H)1O(C@H)(CO)(C@@H)((C@H)((C@H)1O)O)O)O)O
OC(C@H)1O(C@H)(Nc2ccc(cc2)C(=O)O)(C@@H)((C@H)((C@@H)1O(C@@H)1O(C@@H)(CO)(C@@H)((C@H)((C@@H)1O)O)O)O)O
ZINC000004042846
ZINC4042846

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Available files

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