Vitas-M small molecule compound
N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-cyclopentyl-L-isoleucinamide
Catalog ID
STL540558
SMILES CC[C@H]([C@@H](C(=O)NC1CCCC1)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 C32H43N3O6 MW 565.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H43N3O6/c1-7-18(2)29(32(38)34-21-10-8-9-11-21)35-25-15-13-22-23(17-26(25)37)24(33-19(3)36)14-12-20-16-27(39-4)30(40-5)31(41-6)28(20)22/h13,15-18,21,24,29H,7-12,14H2,1-6H3,(H,33,36)(H,34,38)(H,35,37)/t18-,24+,29+/m1/s1InChIKey
VCNPQYPBTPZXQT-MQUZVZANSA-NSynonyms
1574344-71-0(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)cyclopentyl3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Ncyclopentyl3methylpentanamide
1574344710
75491958
CC(C@H)((C@@H)(C(=O)NC1CCCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC32H43N3O6c1718(2)29(32(38)342110891121)352515132223(1726(25)37)24(3319(3)36)1412201627(394)30(405)31(416)28(20)22h131518212429H71214H216H3(H3336)(H3438)(H3537)t1824+29+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)NcyclopentylLisoleucinamide
ZINC000108449927
ZINC108449927
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.