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-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide

Catalog ID
STL551863
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCc1ccc(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 C38H45NO9 MW 659.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H45NO9/c1-24-9-8-12-28(40)11-7-5-6-10-27-22-31(41)36(37(43)35(27)38(44)48-24)30(26-14-16-29(45-2)17-15-26)23-34(42)39-20-19-25-13-18-32(46-3)33(21-25)47-4/h6,10,13-18,21-22,24,30,41,43H,5,7-9,11-12,19-20,23H2,1-4H3,(H,39,42)/b10-6+/t24-,30?/m0
InChIKey
WEIRTGQMCDWQRF-WSBGRJEFSA-N
Synonyms

135640197
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(34dimethoxyphenyl)ethyl)3(4methoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2(34dimethoxyphenyl)ethyl)3(4methoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(34dimethoxyphenethyl)3(4methoxyphenyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCc1ccc(c(c1)OC)OC
InChI=1SC38H45NO9c124981228(40)1175610272231(41)36(37(43)35(27)38(44)4824)30(26141629(452)171526)2334(42)39201925131832(463)33(2125)474h6101318212224304143H5791112192023H214H3(H3942)b106+t2430?m0s1
ZINC001547205995
ZINC001547205996

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Available files

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