Vitas-M small molecule compound
(3S,11E)-14,16-bis[(2,4-dichlorobenzyl)oxy]-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Catalog ID
STL464898
SMILES O=C1CCC/C=C/c2cc(OCc3ccc(cc3Cl)Cl)cc(c2C(=O)O[C@H](CCC1)C)OCc1ccc(cc1Cl)Cl
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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 C32H30Cl4O5 MW 636.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30Cl4O5/c1-20-6-5-9-26(37)8-4-2-3-7-21-14-27(39-18-22-10-12-24(33)15-28(22)35)17-30(31(21)32(38)41-20)40-19-23-11-13-25(34)16-29(23)36/h3,7,10-17,20H,2,4-6,8-9,18-19H2,1H3/b7-3+/t20-/m0/s1InChIKey
AWDXNBUJIMDYDU-BEGIUABZSA-NSynonyms
(2E11S)1517bis((24dichlorophenyl)methoxy)11methyl12oxabicyclo(1240)octadeca1(14)21517tetraene713dione
(3S11E)1416bis((24dichlorobenzyl)oxy)3methyl3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(SE)1416bis((24dichlorobenzyl)oxy)3methyl3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dione
CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)OCC3=C(C=C(C=C3)Cl)Cl)OCC4=C(C=C(C=C4)Cl)Cl
InChI=1SC32H30Cl4O5c12065926(37)84237211427(391822101224(33)1528(22)35)1730(31(21)32(38)4120)401923111325(34)1629(23)36h37101720H246891819H21H3b73+t20m0s1
MFCD02673815
O=C1CCCC=Cc2cc(OCc3ccc(cc3Cl)Cl)cc(c2C(=O)O(C@H)(CCC1)C)OCc1ccc(cc1Cl)Cl
ZINC000254309607
ZINC85907331
Check stock
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Check stock on Vitas-MAvailable files
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