Vitas-M small molecule compound
N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(2-hydroxy-3-oxo-3,4-dihydroquinoxalin-6-yl)isoleucinamide
Catalog ID
STL546188
SMILES CCC(C(C(=O)Nc1ccc2c(c1)[nH]c(=O)c(n2)O)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
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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 C35H39N5O8 MW 657.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39N5O8/c1-7-17(2)30(33(43)37-20-9-12-24-26(15-20)40-35(45)34(44)39-24)38-25-13-10-21-22(16-27(25)42)23(36-18(3)41)11-8-19-14-28(46-4)31(47-5)32(48-6)29(19)21/h9-10,12-17,23,30H,7-8,11H2,1-6H3,(H,36,41)(H,37,43)(H,38,42)(H,39,44)(H,40,45)/t17?InChIKey
NIKKHWLRKHCEOZ-FVXMMZRFSA-NSynonyms
122169716
2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(23dioxo14dihydroquinoxalin6yl)3methylpentanamide
InChI=1SC35H39N5O8c1717(2)30(33(43)37209122426(1520)4035(45)34(44)3924)382513102122(1627(25)42)23(3618(3)41)118191428(464)31(475)32(486)29(19)21h91012172330H7811H216H3(H3641)(H3743)(H3842)(H3944)(H4045)t17?2330?m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2hydroxy3oxo34dihydroquinoxalin6yl)isoleucinamide
ZINC000263585862
ZINC000409414616
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