Vitas-M small molecule compound

(3S,11E)-16-hydroxy-3-methyl-14-{[3-(trifluoromethyl)benzyl]oxy}-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

Catalog ID
STL537713
SMILES O=C1CCC/C=C/c2cc(OCc3cccc(c3)C(F)(F)F)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 C26H27F3O5 MW 476.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27F3O5/c1-17-7-5-12-21(30)11-4-2-3-9-19-14-22(15-23(31)24(19)25(32)34-17)33-16-18-8-6-10-20(13-18)26(27,28)29/h3,6,8-10,13-15,17,31H,2,4-5,7,11-12,16H2,1H3/b9-3+/t17-/m0/s1
InChIKey
KIRQLVGORSJPEJ-KQEHZQRSSA-N
Synonyms

(3S11E)16hydroxy3methyl14((3(trifluoromethyl)benzyl)oxy)3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(4~(S)12~(E))18hydroxy4methyl16((3(trifluoromethyl)phenyl)methoxy)3oxabicyclo(1240)octadeca1(14)121517tetraene28dione
(SE)16hydroxy3methyl14((3(trifluoromethyl)benzyl)oxy)3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dione
16400283
InChI=1SC26H27F3O5c117751221(30)114239191422(1523(31)24(19)25(32)3417)331618861020(1318)26(2728)29h3681013151731H2457111216H21H3b93+t17m0s1
MFCD05671156
O=C1CCCC=Cc2cc(OCc3cccc(c3)C(F)(F)F)cc(c2C(=O)O(C@H)(CCC1)C)O
ZINC000254519843
ZINC8918146

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Available files

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