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-isoleucylglycine
Catalog ID
STL548334
SMILES CC[C@@H]([C@@H](C(=O)NCC(=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 C29H37N3O8 MW 555.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O8/c1-7-15(2)26(29(37)30-14-24(35)36)32-21-11-9-18-19(13-22(21)34)20(31-16(3)33)10-8-17-12-23(38-4)27(39-5)28(40-6)25(17)18/h9,11-13,15,20,26H,7-8,10,14H2,1-6H3,(H,30,37)(H,31,33)(H,32,34)(H,35,36)/t15-,20-,26-/m0/s1InChIKey
PKFDOKPDQNDSRL-MMUYJNCRSA-NSynonyms
110208172
2(((2~(S)3~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)aceticacid
2((2S3S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamido)aceticacid
CC(C@@H)((C@@H)(C(=O)NCC(=O)O)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC29H37N3O8c1715(2)26(29(37)301424(35)36)32211191819(1322(21)34)20(3116(3)33)108171223(384)27(395)28(406)25(17)18h91113152026H781014H216H3(H3037)(H3133)(H3234)(H3536)t152026m0s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lisoleucylglycine
ZINC000253411947
ZINC253411947
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.