Vitas-M small molecule compound
methyl N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-alanylglycinate
Catalog ID
STL545460
SMILES COC(=O)CNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C27H33N3O8 MW 527.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O8/c1-14(27(34)28-13-23(33)36-4)29-20-10-8-17-18(12-21(20)32)19(30-15(2)31)9-7-16-11-22(35-3)25(37-5)26(38-6)24(16)17/h8,10-12,14,19H,7,9,13H2,1-6H3,(H,28,34)(H,29,32)(H,30,31)/t14-,19-/m0/s1InChIKey
MTTFSWICBFBKRV-LIRRHRJNSA-NSynonyms
110205993
COC(=O)CNC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC27H33N3O8c114(27(34)281323(33)364)29201081718(1221(20)32)19(3015(2)31)97161122(353)25(375)26(386)24(16)17h810121419H7913H216H3(H2834)(H2932)(H3031)t1419m0s1
methyl2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoyl)amino)acetate
methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamido)acetate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lalanylglycinate
ZINC000253410054
ZINC253410054
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.