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-hydroxyethyl)-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552534
SMILES OCCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1cc(OC)c(c(c1)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 C32H41NO10 MW 599.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H41NO10/c1-19-9-8-12-22(35)11-7-5-6-10-20-15-24(36)29(30(38)28(20)32(39)43-19)23(18-27(37)33-13-14-34)21-16-25(40-2)31(42-4)26(17-21)41-3/h6,10,15-17,19,23,34,36,38H,5,7-9,11-14,18H2,1-4H3,(H,33,37)/b10-6+/t19-,23?/m0/s1
InChIKey
GCTMANORMJRAJA-NZORKGKJSA-N
Synonyms

135640754
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2hydroxyethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2hydroxyethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2hydroxyethyl)3(345trimethoxyphenyl)propanamide
InChI=1SC32H41NO10c119981222(35)1175610201524(36)29(30(38)28(20)32(39)4319)23(1827(37)33131434)211625(402)31(424)26(1721)413h61015171923343638H579111418H214H3(H3337)b106+t1923?m0s1
OCCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)c1cc(OC)c(c(c1)OC)OC
ZINC001547138293
ZINC001547138294

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Available files

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