Vitas-M small molecule compound

3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-[3-(furan-2-yl)propyl]-3-(4-methoxyphenyl)propanamide

Catalog ID
STL551645
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCCc1ccco1

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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 C35H41NO8 MW 603.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41NO8/c1-23-9-6-12-26(37)11-5-3-4-10-25-21-30(38)33(34(40)32(25)35(41)44-23)29(24-15-17-27(42-2)18-16-24)22-31(39)36-19-7-13-28-14-8-20-43-28/h4,8,10,14-18,20-21,23,29,38,40H,3,5-7,9,11-13,19,22H2,1-2H3,(H,36,39)/b10-4+/t23-,29?/m0/s1
InChIKey
QKPVCTKLBKWUHH-BIAHGZDISA-N
Synonyms

135640008
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(3(furan2yl)propyl)3(4methoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(3(furan2yl)propyl)3(4methoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(3(furan2yl)propyl)3(4methoxyphenyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCCc1ccco1
InChI=1SC35H41NO8c123961226(37)1153410252130(38)33(34(40)32(25)35(41)4423)29(24151727(422)181624)2231(39)361971328148204328h48101418202123293840H357911131922H212H3(H3639)b104+t2329?m0s1
ZINC001547205835
ZINC001547205836

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.