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-phenylalaninate
Catalog ID
STL542719
SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNc1ccc2c(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)37-26-15-13-23-19-30(43-2)33(44-3)34(45-4)32(23)24-14-16-27(29(40)20-25(24)26)36-17-9-12-31(41)38-28(35(42)46-5)18-22-10-7-6-8-11-22/h6-8,10-11,14,16,19-20,26,28H,9,12-13,15,17-18H2,1-5H3,(H,36,40)(H,37,39)(H,38,41)/t26-,28-/mInChIKey
PSPRRRGEVAPGHD-XCZPVHLTSA-NSynonyms
(S)methyl2(4(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamido)3phenylpropanoate
110208047
COC(=O)(C@H)(Cc1ccccc1)NC(=O)CCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC35H41N3O8c121(39)37261513231930(432)33(443)34(454)32(23)24141627(29(40)2025(24)26)361791231(41)3828(35(42)465)1822107681122h681011141619202628H91213151718H215H3(H3640)(H3739)(H3841)t2628m0s1
methyl(2~(S))2(4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoylamino)3phenylpropanoate
methylN(4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)Lphenylalaninate
ZINC000253412053
ZINC253412053
Check stock
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Check stock on Vitas-MAvailable files
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