Vitas-M small molecule compound
N-{2-[(3-cyanopyridin-2-yl)oxy]ethyl}-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]-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL552121
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCOc1ncccc1C#N
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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 C38H43N3O10 MW 701.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H43N3O10/c1-23-10-8-14-27(42)13-7-5-6-11-24-18-29(43)34(35(45)33(24)38(46)51-23)28(26-19-30(47-2)36(49-4)31(20-26)48-3)21-32(44)40-16-17-50-37-25(22-39)12-9-15-41-37/h6,9,11-12,15,18-20,23,28,43,45H,5,7-8,10,13-14,16-17,21H2,1-4H3,(H,40,44)/b1InChIKey
WWMWBMMVZMHNQO-AJIKYYEZSA-NSynonyms
~(N)(2(3cyanopyridin2yl)oxyethyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanamide
135640411
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCOc1ncccc1C#N
InChI=1SC38H43N3O10c1231081427(42)1375611241829(43)34(35(45)33(24)38(46)5123)28(261930(472)36(494)31(2026)483)2132(44)401617503725(2239)129154137h69111215182023284345H578101314161721H214H3(H4044)b116+t2328?m0s1
N(2((3cyanopyridin2yl)oxy)ethyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
N(2((3cyanopyridin2yl)oxy)ethyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547139644
ZINC001547139645
Check stock
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