Vitas-M small molecule compound
N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]alaninamide
Catalog ID
STL550758
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)NCCn2c(=O)c(=O)[nH]c3c2cccc3)C)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 C34H37N5O8 MW 643.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37N5O8/c1-18(32(42)35-14-15-39-26-9-7-6-8-24(26)38-33(43)34(39)44)36-25-13-11-21-22(17-27(25)41)23(37-19(2)40)12-10-20-16-28(45-3)30(46-4)31(47-5)29(20)21/h6-9,11,13,16-18,23H,10,12,14-15H2,1-5H3,(H,35,42)(H,36,41)(H,37,40)(H,38,43)InChIKey
VHCMTXGKHLVNTL-UHFFFAOYSA-NSynonyms
132286148
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(23dioxo4~(H)quinoxalin1yl)ethyl)propanamide
InChI=1SC34H37N5O8c118(32(42)3514153926976824(26)3833(43)34(39)44)362513112122(1727(25)41)23(3719(2)40)1210201628(453)30(464)31(475)29(20)21h691113161823H10121415H215H3(H3542)(H3641)(H3740)(H3843)
MFCD31757758
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(23dioxo34dihydroquinoxalin1(2H)yl)ethyl)alaninamide
ZINC000604405067
ZINC000888089655
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