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-isoleucyl}amino)butanoic acid
Catalog ID
STL543508
SMILES CC[C@@H]([C@@H](C(=O)NCCCC(=O)O)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 C31H41N3O8 MW 583.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41N3O8/c1-7-17(2)28(31(39)32-14-8-9-26(37)38)34-23-13-11-20-21(16-24(23)36)22(33-18(3)35)12-10-19-15-25(40-4)29(41-5)30(42-6)27(19)20/h11,13,15-17,22,28H,7-10,12,14H2,1-6H3,(H,32,39)(H,33,35)(H,34,36)(H,37,38)/t17-,22-,28-/m0/s1InChIKey
LESMDTYXFYVGCT-BZWCRFLISA-NSynonyms
110207451
4(((2~(S)3~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)butanoicacid
4((2S3S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamido)butanoicacid
4((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lisoleucyl)amino)butanoicacid
CC(C@@H)((C@@H)(C(=O)NCCCC(=O)O)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC31H41N3O8c1717(2)28(31(39)32148926(37)38)342313112021(1624(23)36)22(3318(3)35)1210191525(404)29(415)30(426)27(19)20h111315172228H7101214H216H3(H3239)(H3335)(H3436)(H3738)t172228m0s1
ZINC000253408890
ZINC253408890
Check stock
See real-time availability and sample size for STL543508 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.