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-(2,2-dimethoxyethyl)-3-(4-methoxyphenyl)propanamide

Catalog ID
STL552192
SMILES COC(CNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1ccc(cc1)OC)OC

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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 C32H41NO9 MW 583.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H41NO9/c1-20-9-8-12-23(34)11-7-5-6-10-22-17-26(35)30(31(37)29(22)32(38)42-20)25(21-13-15-24(39-2)16-14-21)18-27(36)33-19-28(40-3)41-4/h6,10,13-17,20,25,28,35,37H,5,7-9,11-12,18-19H2,1-4H3,(H,33,36)/b10-6+/t20-,25?/m0/s1
InChIKey
HJMTZLPWFFIKES-PHRVMANWSA-N
Synonyms

135640468
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(22dimethoxyethyl)3(4methoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(22dimethoxyethyl)3(4methoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(22dimethoxyethyl)3(4methoxyphenyl)propanamide
COC(CNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)c1ccc(cc1)OC)OC
InChI=1SC32H41NO9c120981223(34)1175610221726(35)30(31(37)29(22)32(38)4220)25(21131524(392)161421)1827(36)331928(403)414h61013172025283537H57911121819H214H3(H3336)b106+t2025?m0s1
ZINC001547208837
ZINC001547208838

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Available files

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