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

Catalog ID
STL540907
SMILES CCN1CCCC1CNC(=O)[C@@H](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 C31H42N4O6 MW 566.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H42N4O6/c1-7-35-14-8-9-21(35)17-32-31(38)18(2)33-25-13-11-22-23(16-26(25)37)24(34-19(3)36)12-10-20-15-27(39-4)29(40-5)30(41-6)28(20)22/h11,13,15-16,18,21,24H,7-10,12,14,17H2,1-6H3,(H,32,38)(H,33,37)(H,34,36)/t18-,21?,24-/m0/s1
InChIKey
UEZWHESGGAKLFN-HIHYIXDKSA-N
Synonyms
1574252-44-0
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1ethylpyrrolidin2yl)methyl)propanamide
(2S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1ethylpyrrolidin2yl)methyl)propanamide
1574252440
75491561
CCN1CCCC1CNC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC31H42N4O6c1735148921(35)173231(38)18(2)332513112223(1626(25)37)24(3419(3)36)1210201527(394)29(405)30(416)28(20)22h11131516182124H710121417H216H3(H3238)(H3337)(H3436)t1821?24m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1ethylpyrrolidin2yl)methyl)Lalaninamide
ZINC000108448942
ZINC000108448945

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Available files

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

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