Vitas-M small molecule compound
N-[4-(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
STL541458
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2ccc(cc2)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)36-22-10-8-21(9-11-22)34-18(2)37)33-26-14-12-23-24(16-27(26)39)25(35-19(3)38)13-7-20-15-28(41-4)30(42-5)31(43-6)29(20)23/h8-12,14-17,25H,7,13H2,1-6H3,(H,33,39)(H,34,37)(H,35,38)(H,36,40)/t17-,25-/m0/s1InChIKey
XQDFOGKGQPYLAV-GKVSMKOHSA-NSynonyms
1574390-05-8(2~(S))~(N)(4acetamidophenyl)2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4acetamidophenyl)propanamide
1574390058
75492280
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2ccc(cc2)NC(=O)C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC32H36N4O7c117(32(40)362210821(91122)3418(2)37)332614122324(1627(26)39)25(3519(3)38)137201528(414)30(425)31(436)29(20)23h812141725H713H216H3(H3339)(H3437)(H3538)(H3640)t1725m0s1
N(4(acetylamino)phenyl)N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lalaninamide
ZINC000108450704
ZINC108450704
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.