Vitas-M small molecule compound
methyl N-(6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoyl)-L-leucinate
Catalog ID
STL544929
SMILES COC(=O)[C@@H](NC(=O)CCCCCNc1ccc2c(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 C34H47N3O8 MW 625.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H47N3O8/c1-20(2)17-27(34(41)45-7)37-30(40)11-9-8-10-16-35-26-15-13-23-24(19-28(26)39)25(36-21(3)38)14-12-22-18-29(42-4)32(43-5)33(44-6)31(22)23/h13,15,18-20,25,27H,8-12,14,16-17H2,1-7H3,(H,35,39)(H,36,38)(H,37,40)/t25-,27-/m0/s1InChIKey
POOBFXAMYWQHNB-BDYUSTAISA-NSynonyms
(S)methyl2(6(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanamido)4methylpentanoate
110208109
COC(=O)(C@@H)(NC(=O)CCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C
InChI=1SC34H47N3O8c120(2)1727(34(41)457)3730(40)11981016352615132324(1928(26)39)25(3621(3)38)1412221829(424)32(435)33(446)31(22)23h131518202527H812141617H217H3(H3539)(H3638)(H3740)t2527m0s1
methyl(2~(S))2(6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoylamino)4methylpentanoate
methylN(6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)Lleucinate
ZINC000253412001
ZINC253412001
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.