Vitas-M small molecule compound
(3S,11E)-14-[(2,4-dichlorobenzyl)oxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Catalog ID
STL537370
SMILES O=C1CCC/C=C/c2cc(OCc3ccc(cc3Cl)Cl)cc(c2C(=O)O[C@H](CCC1)C)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 C25H26Cl2O5 MW 477.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26Cl2O5/c1-16-6-5-9-20(28)8-4-2-3-7-17-12-21(14-23(29)24(17)25(30)32-16)31-15-18-10-11-19(26)13-22(18)27/h3,7,10-14,16,29H,2,4-6,8-9,15H2,1H3/b7-3+/t16-/m0/s1InChIKey
DYWRIWPWRBGTRL-SEJWUHKESA-NSynonyms
(3S11E)14((24dichlorobenzyl)oxy)16hydroxy3methyl3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(4~(S)12~(E))16((24dichlorophenyl)methoxy)18hydroxy4methyl3oxabicyclo(1240)octadeca1(14)121517tetraene28dione
(SE)14((24dichlorobenzyl)oxy)16hydroxy3methyl3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dione
16400671
InChI=1SC25H26Cl2O5c11665920(28)84237171221(1423(29)24(17)25(30)3216)311518101119(26)1322(18)27h3710141629H2468915H21H3b73+t16m0s1
MFCD05671808
O=C1CCCC=Cc2cc(OCc3ccc(cc3Cl)Cl)cc(c2C(=O)O(C@H)(CCC1)C)O
ZINC000254307135
ZINC8918343
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