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-alaninate
Catalog ID
STL545398
SMILES COC(=O)[C@@H](NC(=O)CCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C29H37N3O8 MW 555.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O8/c1-16(29(36)40-6)31-25(35)8-7-13-30-22-12-10-19-20(15-23(22)34)21(32-17(2)33)11-9-18-14-24(37-3)27(38-4)28(39-5)26(18)19/h10,12,14-16,21H,7-9,11,13H2,1-6H3,(H,30,34)(H,31,35)(H,32,33)/t16-,21-/m0/s1InChIKey
RPIVDUPGQSUOHK-KKSFZXQISA-NSynonyms
(S)methyl2(4(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamido)propanoate
110207680
COC(=O)(C@@H)(NC(=O)CCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC29H37N3O8c116(29(36)406)3125(35)8713302212101920(1523(22)34)21(3217(2)33)119181424(373)27(384)28(395)26(18)19h1012141621H791113H216H3(H3034)(H3135)(H3233)t1621m0s1
methyl(2~(S))2(4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoylamino)propanoate
methylN(4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)Lalaninate
ZINC000253412641
ZINC253412641
Check stock
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Check stock on Vitas-MAvailable files
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