Vitas-M small molecule compound
(3S,11E)-16-hydroxy-3-methyl-14-[(2-methylbenzyl)oxy]-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Catalog ID
STL537709
SMILES O=C1CCC/C=C/c2cc(OCc3ccccc3C)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/c1-18-9-6-7-12-21(18)17-30-23-15-20-11-4-3-5-13-22(27)14-8-10-19(2)31-26(29)25(20)24(28)16-23/h4,6-7,9,11-12,15-16,19,28H,3,5,8,10,13-14,17H2,1-2H3/b11-4+/t19-/m0/s1InChIKey
STMATFBGYDIEGY-RRPUDGLYSA-NSynonyms
(3S11E)16hydroxy3methyl14((2methylbenzyl)oxy)3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(4~(S)12~(E))18hydroxy4methyl16((2methylphenyl)methoxy)3oxabicyclo(1240)octadeca1(14)121517tetraene28dione
(SE)16hydroxy3methyl14((2methylbenzyl)oxy)3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dione
16400505
InChI=1SC26H30O5c1189671221(18)1730231520114351322(27)1481019(2)3126(29)25(20)24(28)1623h4679111215161928H35810131417H212H3b114+t19m0s1
MFCD05671532
O=C1CCCC=Cc2cc(OCc3ccccc3C)cc(c2C(=O)O(C@H)(CCC1)C)O
ZINC000004073479
ZINC6733663
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