Vitas-M small molecule compound
methyl 4-[(6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoyl)amino]benzoate
Catalog ID
STL549262
SMILES COC(=O)c1ccc(cc1)NC(=O)CCCCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C35H41N3O8 MW 631.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N3O8/c1-21(39)37-27-16-12-23-19-30(43-2)33(44-3)34(45-4)32(23)25-15-17-28(29(40)20-26(25)27)36-18-8-6-7-9-31(41)38-24-13-10-22(11-14-24)35(42)46-5/h10-11,13-15,17,19-20,27H,6-9,12,16,18H2,1-5H3,(H,36,40)(H,37,39)(H,38,41)/t27-/m0/s1InChIKey
QXRUAPNDZORICI-MHZLTWQESA-NSynonyms
(S)methyl4(6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanamido)benzoate
121541201
COC(=O)c1ccc(cc1)NC(=O)CCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC35H41N3O8c121(39)37271612231930(432)33(443)34(454)32(23)25151728(29(40)2026(25)27)3618867931(41)3824131022(111424)35(42)465h1011131517192027H69121618H215H3(H3640)(H3739)(H3841)t27m0s1
methyl4((6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)amino)benzoate
methyl4(6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoylamino)benzoate
ZINC000263586180
ZINC263586180
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.