Vitas-M small molecule compound
4-({2-[(3-carboxypropanoyl)oxy]-1,4a-dimethyl-6-methylidene-5-[(E)-2-(2-oxo-2,5-dihydrofuran-3-yl)ethenyl]decahydronaphthalen-1-yl}methoxy)-4-oxobutanoate
Catalog ID
STL553532
SMILES [O-]C(=O)CCC(=O)OCC1(C)C(CCC2(C1CCC(=C)C2/C=C/C1=CCOC1=O)C)OC(=O)CCC(=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 C28H35O10 MW 531.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36O10/c1-17-4-7-20-27(2,19(17)6-5-18-13-15-36-26(18)35)14-12-21(38-25(34)11-9-23(31)32)28(20,3)16-37-24(33)10-8-22(29)30/h5-6,13,19-21H,1,4,7-12,14-16H2,2-3H3,(H,29,30)(H,31,32)/p-1/b6-5+InChIKey
YTHKMAIVPFVDNU-AATRIKPKSA-MSynonyms
(O)C(=O)CCC(=O)OC(C@)1(C)(C@@H)(CC(C@@)2(C1CCC(=C)(C@H)2C=CC1=CCOC1=O)C)OC(=O)CCC(=O)O(K+)
135630700
4((2((3carboxypropanoyl)oxy)14adimethyl6methylidene5((E)2(2oxo25dihydrofuran3yl)ethenyl)decahydronaphthalen1yl)methoxy)4oxobutanoate
4((2(3carboxypropanoyloxy)14~(a)dimethyl6methylidene5((~(E))2(5oxo2~(H)furan4yl)ethenyl)345788~(a)hexahydro2~(H)naphthalen1yl)methoxy)4oxobutanoate
potassium4(((1R2R4aR5R)2((3carboxypropanoyl)oxy)14adimethyl6methylene5((E)2(2oxo25dihydrofuran3yl)vinyl)decahydronaphthalen1yl)methoxy)4oxobutanoate
ZINC000004273374
ZINC000043742899
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