Vitas-M small molecule compound

dimethyl 4,4'-{[(3S,11E)-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-14,16-diyl]bis(oxymethanediyl)}dibenzoate

Catalog ID
STL464896
SMILES COC(=O)c1ccc(cc1)COc1cc(OCc2ccc(cc2)C(=O)OC)c2c(c1)/C=C/CCCC(=O)CCC[C@@H](OC2=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 C36H38O9 MW 614.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H38O9/c1-24-8-7-11-30(37)10-6-4-5-9-29-20-31(43-22-25-12-16-27(17-13-25)34(38)41-2)21-32(33(29)36(40)45-24)44-23-26-14-18-28(19-15-26)35(39)42-3/h5,9,12-21,24H,4,6-8,10-11,22-23H2,1-3H3/b9-5+/t24-/m0/s1
InChIKey
LTZQLWAKDPYGCC-LUAJHVPRSA-N
Synonyms

(SE)dimethyl44(((3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecine1416diyl)bis(oxy))bis(methylene))dibenzoate
CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)OCC3=CC=C(C=C3)C(=O)OC)OCC4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)COc1cc(OCc2ccc(cc2)C(=O)OC)c2c(c1)C=CCCCC(=O)CCC(C@@H)(OC2=O)C
dimethyl44(((3S11E)3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecine1416diyl)bis(oxymethanediyl))dibenzoate
InChI=1SC36H38O9c124871130(37)106459292031(432225121627(171325)34(38)412)2132(33(29)36(40)4524)442326141828(191526)35(39)423h59122124H46810112223H213H3b95+t24m0s1
methyl4(((2E11S)15((4methoxycarbonylphenyl)methoxy)11methyl713dioxo12oxabicyclo(1240)octadeca1(14)21517tetraen17yl)oxymethyl)benzoate
MFCD02673812
ZINC000254384097

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.