Vitas-M small molecule compound
2-{[3-methyl-2-({[(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]carbonyl}amino)butanoyl]amino}propanoic acid (non-preferred name)
Catalog ID
STL537805
SMILES CC(C(C(=O)NC(C(=O)O)C)NC(=O)[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)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 C20H32N2O9 MW 444.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H32N2O9/c1-8(2)10(15(23)21-9(3)17(25)26)22-16(24)13-11-12(29-19(4,5)28-11)14-18(27-13)31-20(6,7)30-14/h8-14,18H,1-7H3,(H,21,23)(H,22,24)(H,25,26)/t9?,10?,11-,12+,13+,14-,18-/m1/s1InChIKey
DRZJBMUBFNUJCT-YQMOZFOSSA-NSynonyms
16398134
2((3methyl2((((3aR5S5aR8aS8bR)2277tetramethyltetrahydro3aHbis(13)dioxolo(45b45d)pyran5yl)carbonyl)amino)butanoyl)amino)propanoicacid(nonpreferredname)
2((3methyl2(((1~(S)2~(R)6~(R)8~(S)9~(R))441111tetramethyl3571012pentaoxatricyclo(7300^(26))dodecane8carbonyl)amino)butanoyl)amino)propanoicacid
2(3methyl2((3aR5S5aR8aS8bR)2277tetramethyltetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxamido)butanamido)propanoicacid
CC(C(C(=O)NC(C(=O)O)C)NC(=O)(C@H)1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C)C
InChI=1SC20H32N2O9c18(2)10(15(23)219(3)17(25)26)2216(24)131112(2919(45)2811)1418(2713)3120(67)3014h81418H17H3(H2123)(H2224)(H2526)t9?10?1112+13+1418m1s1
MFCD03660502
ZINC000008817420
ZINC000008817423
Check stock
See real-time availability and sample size for STL537805 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.