Vitas-M small molecule compound

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

Catalog ID
STL537990
SMILES O=C1CCC/C=C/c2cc(OCc3ccc(cc3)C)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 C26H30O5 MW 422.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30O5/c1-18-11-13-20(14-12-18)17-30-23-15-21-8-4-3-5-9-22(27)10-6-7-19(2)31-26(29)25(21)24(28)16-23/h4,8,11-16,19,28H,3,5-7,9-10,17H2,1-2H3/b8-4+/t19-/m0/s1
InChIKey
XVGXFYAIWPWCCX-AMGQUURNSA-N
Synonyms

(3S11E)16hydroxy3methyl14((4methylbenzyl)oxy)3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(4~(S)12~(E))18hydroxy4methyl16((4methylphenyl)methoxy)3oxabicyclo(1240)octadeca1(14)121517tetraene28dione
(SE)16hydroxy3methyl14((4methylbenzyl)oxy)3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dione
16400399
InChI=1SC26H30O5c118111320(141218)17302315218435922(27)106719(2)3126(29)25(21)24(28)1623h4811161928H35791017H212H3b84+t19m0s1
MFCD05671349
O=C1CCCC=Cc2cc(OCc3ccc(cc3)C)cc(c2C(=O)O(C@H)(CCC1)C)O
ZINC000004073360
ZINC6233831

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Available files

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