Vitas-M small molecule compound
N-[3-(acetylamino)phenyl]-N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-alaninamide
Catalog ID
STL542463
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2cccc(c2)NC(=O)C)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 C32H36N4O7 MW 588.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N4O7/c1-17(32(40)36-22-9-7-8-21(15-22)34-18(2)37)33-26-13-11-23-24(16-27(26)39)25(35-19(3)38)12-10-20-14-28(41-4)30(42-5)31(43-6)29(20)23/h7-9,11,13-17,25H,10,12H2,1-6H3,(H,33,39)(H,34,37)(H,35,38)(H,36,40)/t17-,25-/m0/s1InChIKey
FGYDEAQCFAUHLI-GKVSMKOHSA-NSynonyms
1574294-01-1(2~(S))~(N)(3acetamidophenyl)2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3acetamidophenyl)propanamide
1574294011
75492586
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2cccc(c2)NC(=O)C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC32H36N4O7c117(32(40)362297821(1522)3418(2)37)332613112324(1627(26)39)25(3519(3)38)1210201428(414)30(425)31(436)29(20)23h7911131725H1012H216H3(H3339)(H3437)(H3538)(H3640)t1725m0s1
N(3(acetylamino)phenyl)N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lalaninamide
ZINC000108451565
ZINC108451565
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.