Vitas-M small molecule compound
N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-alanyl-L-methionine
Catalog ID
STL543992
SMILES CSCC[C@@H](C(=O)O)NC(=O)[C@@H](Nc1ccc2c(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 C29H37N3O8S MW 587.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O8S/c1-15(28(35)32-22(29(36)37)11-12-41-6)30-21-10-8-18-19(14-23(21)34)20(31-16(2)33)9-7-17-13-24(38-3)26(39-4)27(40-5)25(17)18/h8,10,13-15,20,22H,7,9,11-12H2,1-6H3,(H,30,34)(H,31,33)(H,32,35)(H,36,37)/t15-,20-,22-/m0/s1InChIKey
VRVFUHHBLAIXQI-LVWPNOBMSA-NSynonyms
(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoyl)amino)4methylsulfanylbutanoicacid
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamido)4(methylthio)butanoicacid
110206924
CSCC(C@@H)(C(=O)O)NC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC29H37N3O8Sc115(28(35)3222(29(36)37)1112416)30211081819(1423(21)34)20(3116(2)33)97171324(383)26(394)27(405)25(17)18h81013152022H791112H216H3(H3034)(H3133)(H3235)(H3637)t152022m0s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LalanylLmethionine
ZINC000253413797
ZINC253413797
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.