Vitas-M small molecule compound
methyl 5-({[(3S,11E)-16-hydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-14-yl]oxy}methyl)furan-2-carboxylate
Catalog ID
STL464900
SMILES COC(=O)c1ccc(o1)COc1cc2/C=C/CCCC(=O)CCC[C@@H](OC(=O)c2c(c1)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 C25H28O8 MW 456.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28O8/c1-16-7-6-10-18(26)9-5-3-4-8-17-13-20(14-21(27)23(17)25(29)32-16)31-15-19-11-12-22(33-19)24(28)30-2/h4,8,11-14,16,27H,3,5-7,9-10,15H2,1-2H3/b8-4+/t16-/m0/s1InChIKey
ZKYHKTULGJJUMU-YCOJEUHLSA-NSynonyms
(RE)methyl5(((16hydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin14yl)oxy)methyl)furan2carboxylate
CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)OCC3=CC=C(O3)C(=O)OC
COC(=O)c1ccc(o1)COc1cc2C=CCCCC(=O)CCC(C@@H)(OC(=O)c2c(c1)O)C
COC(=O)c1ccc(o1)COc1cc2C=CCCCC(=O)CCC(C@H)(OC(=O)c2c(c1)O)C
InChI=1SC25H28O8c116761018(26)95348171320(1421(27)23(17)25(29)3216)311519111222(3319)24(28)302h4811141627H35791015H212H3b84+t16m0s1
methyl5((((3S11E)16hydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin14yl)oxy)methyl)furan2carboxylate
methyl5(((2E11S)15hydroxy11methyl713dioxo12oxabicyclo(1240)octadeca1(14)21517tetraen17yl)oxymethyl)furan2carboxylate
MFCD01880934
ZINC000254798707
ZINC11865795
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.