Vitas-M small molecule compound
methyl N-(4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoyl)-L-leucinate
Catalog ID
STL543162
SMILES COC(=O)[C@@H](NC(=O)CCCNc1ccc2c(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 C32H43N3O8 MW 597.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H43N3O8/c1-18(2)15-25(32(39)43-7)35-28(38)9-8-14-33-24-13-11-21-22(17-26(24)37)23(34-19(3)36)12-10-20-16-27(40-4)30(41-5)31(42-6)29(20)21/h11,13,16-18,23,25H,8-10,12,14-15H2,1-7H3,(H,33,37)(H,34,36)(H,35,38)/t23-,25-/m0/s1InChIKey
FYFCUXOWQQZYCS-ZCYQVOJMSA-NSynonyms
(S)methyl2(4(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamido)4methylpentanoate
110206264
COC(=O)(C@@H)(NC(=O)CCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C
InChI=1SC32H43N3O8c118(2)1525(32(39)437)3528(38)9814332413112122(1726(24)37)23(3419(3)36)1210201627(404)30(415)31(426)29(20)21h111316182325H810121415H217H3(H3337)(H3436)(H3538)t2325m0s1
methyl(2~(S))2(4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoylamino)4methylpentanoate
methylN(4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)Lleucinate
ZINC000253401953
ZINC253401953
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.