Vitas-M small molecule compound
(3S,11E)-14-[(4-chlorobenzyl)oxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Catalog ID
STL536706
SMILES O=C1CCC/C=C/c2cc(OCc3ccc(cc3)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 C25H27ClO5 MW 442.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClO5/c1-17-6-5-9-21(27)8-4-2-3-7-19-14-22(15-23(28)24(19)25(29)31-17)30-16-18-10-12-20(26)13-11-18/h3,7,10-15,17,28H,2,4-6,8-9,16H2,1H3/b7-3+/t17-/m0/s1InChIKey
SHEUNWNBJVAJOA-GALSZHCDSA-NSynonyms
(3S11E)14((4chlorobenzyl)oxy)16hydroxy3methyl3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(4~(S)12~(E))16((4chlorophenyl)methoxy)18hydroxy4methyl3oxabicyclo(1240)octadeca1(14)121517tetraene28dione
(SE)14((4chlorobenzyl)oxy)16hydroxy3methyl3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dione
16400749
InChI=1SC25H27ClO5c11765921(27)84237191422(1523(28)24(19)25(29)3117)301618101220(26)131118h3710151728H2468916H21H3b73+t17m0s1
MFCD05671933
O=C1CCCC=Cc2cc(OCc3ccc(cc3)Cl)cc(c2C(=O)O(C@H)(CCC1)C)O
ZINC000254382654
ZINC8918369
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