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-pyridin-2-yl-L-methioninamide
Catalog ID
STL539978
SMILES CSCC[C@@H](C(=O)Nc1ccccn1)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 C31H36N4O6S MW 592.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O6S/c1-18(36)33-22-11-9-19-16-26(39-2)29(40-3)30(41-4)28(19)20-10-12-23(25(37)17-21(20)22)34-24(13-15-42-5)31(38)35-27-8-6-7-14-32-27/h6-8,10,12,14,16-17,22,24H,9,11,13,15H2,1-5H3,(H,33,36)(H,34,37)(H,32,35,38)/t22-,24-/m0/s1InChIKey
KNNUUTQEBJCAPX-UPVQGACJSA-NSynonyms
1574380-52-1(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)pyridin2ylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)N(pyridin2yl)butanamide
1574380521
75491222
CSCC(C@@H)(C(=O)Nc1ccccn1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC31H36N4O6Sc118(36)3322119191626(392)29(403)30(414)28(19)20101223(25(37)1721(20)22)3424(1315425)31(38)3527867143227h6810121416172224H9111315H215H3(H3336)(H3437)(H323538)t2224m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Npyridin2ylLmethioninamide
ZINC000108448042
ZINC108448042
Check stock
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Check stock on Vitas-MAvailable files
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