Vitas-M small molecule compound

methyl N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-leucyl-L-alaninate

Catalog ID
STL545712
SMILES COC(=O)[C@@H](NC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)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/c1-16(2)13-24(30(37)32-17(3)31(38)42-8)34-23-12-10-20-21(15-25(23)36)22(33-18(4)35)11-9-19-14-26(39-5)28(40-6)29(41-7)27(19)20/h10,12,14-17,22,24H,9,11,13H2,1-8H3,(H,32,37)(H,33,35)(H,34,36)/t17-,22-,24-/m0/s1
InChIKey
PVNPBACMRJZWEH-OWSXEPHWSA-N
Synonyms

(S)methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylpentanamido)propanoate
110207984
COC(=O)(C@@H)(NC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C)C
InChI=1SC31H41N3O8c116(2)1324(30(37)3217(3)31(38)428)342312102021(1525(23)36)22(3318(4)35)119191426(395)28(406)29(417)27(19)20h101214172224H91113H218H3(H3237)(H3335)(H3436)t172224m0s1
methyl(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylpentanoyl)amino)propanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LleucylLalaninate
ZINC000253412096
ZINC253412096

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.