Vitas-M small molecule compound
methyl {1-[({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-leucyl}amino)methyl]cyclohexyl}acetate
Catalog ID
STL548879
SMILES COC(=O)CC1(CCCCC1)CNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(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 C37H51N3O8 MW 665.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H51N3O8/c1-22(2)17-29(36(44)38-21-37(20-32(43)46-5)15-9-8-10-16-37)40-28-14-12-25-26(19-30(28)42)27(39-23(3)41)13-11-24-18-31(45-4)34(47-6)35(48-7)33(24)25/h12,14,18-19,22,27,29H,8-11,13,15-17,20-21H2,1-7H3,(H,38,44)(H,39,41)(H,40,42)/t27-,29-InChIKey
XVIQCWUBXWWVON-YTMVLYRLSA-NSynonyms
121541161
COC(=O)CC1(CCCCC1)CNC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C
InChI=1SC37H51N3O8c122(2)1729(36(44)382137(2032(43)465)1598101637)402814122526(1930(28)42)27(3923(3)41)1311241831(454)34(476)35(487)33(24)25h12141819222729H8111315172021H217H3(H3844)(H3941)(H4042)t2729m0s1
methyl(1(((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lleucyl)amino)methyl)cyclohexyl)acetate
methyl2(1((((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylpentanoyl)amino)methyl)cyclohexyl)acetate
methyl2(1(((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylpentanamido)methyl)cyclohexyl)acetate
ZINC000263586783
ZINC263586783
Check stock
See real-time availability and sample size for STL548879 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.