Vitas-M small molecule compound
(3S,11E)-14-[(2-fluorobenzyl)oxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Catalog ID
STL536676
SMILES O=C1CCC/C=C/c2cc(OCc3ccccc3F)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 C25H27FO5 MW 426.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FO5/c1-17-8-7-12-20(27)11-4-2-3-9-18-14-21(15-23(28)24(18)25(29)31-17)30-16-19-10-5-6-13-22(19)26/h3,5-6,9-10,13-15,17,28H,2,4,7-8,11-12,16H2,1H3/b9-3+/t17-/m0/s1InChIKey
JROWYQRXCGGZRG-KQEHZQRSSA-NSynonyms
(3S11E)14((2fluorobenzyl)oxy)16hydroxy3methyl3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(4~(S)12~(E))16((2fluorophenyl)methoxy)18hydroxy4methyl3oxabicyclo(1240)octadeca1(14)121517tetraene28dione
(SE)14((2fluorobenzyl)oxy)16hydroxy3methyl3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dione
16400811
InChI=1SC25H27FO5c117871220(27)114239181421(1523(28)24(18)25(29)3117)30161910561322(19)26h35691013151728H2478111216H21H3b93+t17m0s1
MFCD05672060
O=C1CCCC=Cc2cc(OCc3ccccc3F)cc(c2C(=O)O(C@H)(CCC1)C)O
ZINC000254867541
ZINC8918406
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