Vitas-M small molecule compound
4-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[2-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]butanamide
Catalog ID
STL540669
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NCCCC(=O)NCCn2c(=O)c(=O)[nH]c3c2cccc3)NC(=O)C)cc(c1OC)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 C35H39N5O8 MW 657.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39N5O8/c1-20(41)38-24-13-11-21-18-29(46-2)32(47-3)33(48-4)31(21)22-12-14-26(28(42)19-23(22)24)36-15-7-10-30(43)37-16-17-40-27-9-6-5-8-25(27)39-34(44)35(40)45/h5-6,8-9,12,14,18-19,24H,7,10-11,13,15-17H2,1-4H3,(H,36,42)(H,37,43)(H,38,41)(H,39,4InChIKey
GTCWRFBLEZVQHG-UHFFFAOYSA-NSynonyms
4((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(23dioxo34dihydroquinoxalin1(2H)yl)ethyl)butanamide
4((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(23dioxo4~(H)quinoxalin1yl)ethyl)butanamide
75356613
InChI=1SC35H39N5O8c120(41)38241311211829(462)32(473)33(484)31(21)22121426(28(42)1923(22)24)361571030(43)3716174027965825(27)3934(44)35(40)45h56891214181924H71011131517H214H3(H3642)(H3743)(H3841)(H3944)
MFCD31755146
ZINC000150653696
ZINC000206241128
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