Vitas-M small molecule compound
4-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl}amino)butanoic acid
Catalog ID
STL545678
SMILES CSCC[C@@H](C(=O)NCCCC(=O)O)Nc1ccc2c(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 C30H39N3O8S MW 601.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O8S/c1-17(34)32-21-10-8-18-15-25(39-2)28(40-3)29(41-4)27(18)19-9-11-22(24(35)16-20(19)21)33-23(12-14-42-5)30(38)31-13-6-7-26(36)37/h9,11,15-16,21,23H,6-8,10,12-14H2,1-5H3,(H,31,38)(H,32,34)(H,33,35)(H,36,37)/t21-,23-/m0/s1InChIKey
IOXSYZRUZRGVNA-GMAHTHKFSA-NSynonyms
110207028
4(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)butanoicacid
4((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethionyl)amino)butanoicacid
4((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)butanoicacid
CSCC(C@@H)(C(=O)NCCCC(=O)O)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC30H39N3O8Sc117(34)3221108181525(392)28(403)29(414)27(18)1991122(24(35)1620(19)21)3323(1214425)30(38)31136726(36)37h91115162123H68101214H215H3(H3138)(H3234)(H3335)(H3637)t2123m0s1
ZINC000253405927
ZINC253405927
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.