Vitas-M small molecule compound
(3S,11E)-14-[(3-chlorobenzyl)oxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Catalog ID
STL536490
SMILES O=C1CCC/C=C/c2cc(OCc3cccc(c3)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/c1-17-7-5-12-21(27)11-4-2-3-9-19-14-22(15-23(28)24(19)25(29)31-17)30-16-18-8-6-10-20(26)13-18/h3,6,8-10,13-15,17,28H,2,4-5,7,11-12,16H2,1H3/b9-3+/t17-/m0/s1InChIKey
VICPTRLCPQKYPX-KQEHZQRSSA-NSynonyms
(3S11E)14((3chlorobenzyl)oxy)16hydroxy3methyl3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(4~(S)12~(E))16((3chlorophenyl)methoxy)18hydroxy4methyl3oxabicyclo(1240)octadeca1(14)121517tetraene28dione
(SE)14((3chlorobenzyl)oxy)16hydroxy3methyl3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dione
16400088
InChI=1SC25H27ClO5c117751221(27)114239191422(1523(28)24(19)25(29)3117)301618861020(26)1318h3681013151728H2457111216H21H3b93+t17m0s1
MFCD05670823
O=C1CCCC=Cc2cc(OCc3cccc(c3)Cl)cc(c2C(=O)O(C@H)(CCC1)C)O
ZINC000263629322
ZINC12863286
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