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-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552132
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCn1c(=O)c(=O)[nH]c2c1cccc2

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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 C40H45N3O11 MW 743.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H45N3O11/c1-23-11-10-14-26(44)13-7-5-6-12-24-19-30(45)35(36(47)34(24)40(50)54-23)27(25-20-31(51-2)37(53-4)32(21-25)52-3)22-33(46)41-17-18-43-29-16-9-8-15-28(29)42-38(48)39(43)49/h6,8-9,12,15-16,19-21,23,27,45,47H,5,7,10-11,13-14,17-18,22H2,1-4
InChIKey
DTLBEZQZDUYUGL-AMONCSBESA-N
Synonyms

135640417
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(23dioxo34dihydroquinoxalin1(2H)yl)ethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2(23dioxo4~(H)quinoxalin1yl)ethyl)3(345trimethoxyphenyl)propanamide
InChI=1SC40H45N3O11c12311101426(44)1375612241930(45)35(36(47)34(24)40(50)5423)27(252031(512)37(534)32(2125)523)2233(46)411718432916981528(29)4238(48)39(43)49h689121516192123274547H5710111314171822H214H3(H4146)(H4248)b126+t2327?m0s1
ZINC001547138656
ZINC001547138660

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Available files

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