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)methioninamide
Catalog ID
STL549095
SMILES CSCCC(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
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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 C34H37N5O8S MW 675.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37N5O8S/c1-17(40)35-22-9-6-18-14-28(45-2)30(46-3)31(47-4)29(18)20-8-11-24(27(41)16-21(20)22)37-25(12-13-48-5)32(42)36-19-7-10-23-26(15-19)39-34(44)33(43)38-23/h7-8,10-11,14-16,22,25H,6,9,12-13H2,1-5H3,(H,35,40)(H,36,42)(H,37,41)(H,38,43)(H,39InChIKey
CNCYBEVDWWNXLX-XADRRFQNSA-NSynonyms
122169723
2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(23dioxo14dihydroquinoxalin6yl)4methylsulfanylbutanamide
InChI=1SC34H37N5O8Sc117(40)352296181428(452)30(463)31(474)29(18)2081124(27(41)1621(20)22)3725(1213485)32(42)36197102326(1519)3934(44)33(43)3823h78101114162225H691213H215H3(H3540)(H3642)(H3741)(H3843)(H3944)t2225?m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2hydroxy3oxo34dihydroquinoxalin6yl)methioninamide
ZINC000263584971
ZINC000409413598
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