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-leucyl-beta-alanine
Catalog ID
STL548685
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCC(=O)O)CC(C)C)NC(=O)C)cc(c1OC)OC
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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 C30H39N3O8 MW 569.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O8/c1-16(2)13-23(30(38)31-12-11-26(36)37)33-22-10-8-19-20(15-24(22)35)21(32-17(3)34)9-7-18-14-25(39-4)28(40-5)29(41-6)27(18)19/h8,10,14-16,21,23H,7,9,11-13H2,1-6H3,(H,31,38)(H,32,34)(H,33,35)(H,36,37)/t21-,23-/m0/s1InChIKey
QKVXPSGSJRXTRY-GMAHTHKFSA-NSynonyms
121541815
3(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylpentanoyl)amino)propanoicacid
3((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylpentanamido)propanoicacid
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCC(=O)O)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC30H39N3O8c116(2)1323(30(38)31121126(36)37)33221081920(1524(22)35)21(3217(3)34)97181425(394)28(405)29(416)27(18)19h81014162123H791113H216H3(H3138)(H3234)(H3335)(H3637)t2123m0s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lleucylbetaalanine
ZINC000263586117
ZINC263586117
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.