Vitas-M small molecule compound
2-({[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK741696
SMILES OCC(NC=C1C(=O)CC(CC1=O)(C)C)(CO)CO
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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 C13H21NO5 MW 271.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H21NO5/c1-12(2)3-10(18)9(11(19)4-12)5-14-13(6-15,7-16)8-17/h5,14-17H,3-4,6-8H2,1-2H3InChIKey
OOAVPCKFZZJXSA-UHFFFAOYSA-NSynonyms
2(((11BIS(HYDROXYMETHYL)2HYDROXYETHYL)AMINO)METHYLENE)55DIMETHYLCYCLOHEXANE13DIONE
2(((13dihydroxy2(hydroxymethyl)propan2yl)amino)methylene)55dimethylcyclohexane13dione
2(((13dihydroxy2(hydroxymethyl)propan2yl)amino)methylidene)55dimethylcyclohexane13dione
CC1(CC(=O)C(=CNC(CO)(CO)CO)C(=O)C1)C
InChI=1SC13H21NO5c112(2)310(18)9(11(19)412)51413(615716)817h51417H3468H212H3
MFCD01210586
ZINC000100312198
ZINC04391225
ZINC100312198
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