Vitas-M small molecule compound
(3S,11E)-14-[(4-tert-butylbenzyl)oxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Catalog ID
STL536372
SMILES O=C1CCC/C=C/c2cc(OCc3ccc(cc3)C(C)(C)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 C29H36O5 MW 464.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36O5/c1-20-9-8-12-24(30)11-7-5-6-10-22-17-25(18-26(31)27(22)28(32)34-20)33-19-21-13-15-23(16-14-21)29(2,3)4/h6,10,13-18,20,31H,5,7-9,11-12,19H2,1-4H3/b10-6+/t20-/m0/s1InChIKey
SDKNNOGZPNWINU-FXVWLTTGSA-NSynonyms
(3S11E)14((4tertbutylbenzyl)oxy)16hydroxy3methyl3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(4~(S)12~(E))16((4~(tert)butylphenyl)methoxy)18hydroxy4methyl3oxabicyclo(1240)octadeca1(14)121517tetraene28dione
(SE)14((4(tertbutyl)benzyl)oxy)16hydroxy3methyl3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dione
16400967
InChI=1SC29H36O5c120981224(30)1175610221725(1826(31)27(22)28(32)3420)331921131523(161421)29(23)4h61013182031H579111219H214H3b106+t20m0s1
MFCD05672317
O=C1CCCC=Cc2cc(OCc3ccc(cc3)C(C)(C)C)cc(c2C(=O)O(C@H)(CCC1)C)O
ZINC000254824883
ZINC8918483
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