Vitas-M small molecule compound
(3S,11E)-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecine-14,16-diyl dibenzoate
Catalog ID
STL526726
SMILES O=C1CCC/C=C/c2cc(cc(c2C(=O)O[C@H](CCC1)C)OC(=O)c1ccccc1)OC(=O)c1ccccc1
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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 C32H30O7 MW 526.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30O7/c1-22-12-11-19-26(33)18-10-4-9-17-25-20-27(38-30(34)23-13-5-2-6-14-23)21-28(29(25)32(36)37-22)39-31(35)24-15-7-3-8-16-24/h2-3,5-9,13-17,20-22H,4,10-12,18-19H2,1H3/b17-9+/t22-/m0/s1InChIKey
BJSGARCILYNHKU-IXNCKXOBSA-NSynonyms
((4~(S)12~(E))18benzoyloxy4methyl28dioxo3oxabicyclo(1240)octadeca1(14)121517tetraen16yl)benzoate
(3S11E)3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecine1416diyldibenzoate
(SE)3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecine1416diyldibenzoate
16397406
InChI=1SC32H30O7c12212111926(33)18104917252027(3830(34)23135261423)2128(29(25)32(36)3722)3931(35)24157381624h235913172022H410121819H21H3b179+t22m0s1
MFCD03005826
O=C1CCCC=Cc2cc(cc(c2C(=O)O(C@H)(CCC1)C)OC(=O)c1ccccc1)OC(=O)c1ccccc1
ZINC000254704168
ZINC9067496
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