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-(4-methoxybenzyl)-L-leucinamide

Catalog ID
STL540372
SMILES COc1ccc(cc1)CNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(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 C35H43N3O7 MW 617.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H43N3O7/c1-20(2)16-29(35(41)36-19-22-8-11-24(42-4)12-9-22)38-28-15-13-25-26(18-30(28)40)27(37-21(3)39)14-10-23-17-31(43-5)33(44-6)34(45-7)32(23)25/h8-9,11-13,15,17-18,20,27,29H,10,14,16,19H2,1-7H3,(H,36,41)(H,37,39)(H,38,40)/t27-,29-/m0/s1
InChIKey
ZOMRIUSHCDIAIA-YTMVLYRLSA-N
Synonyms
1574380-56-5
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((4methoxyphenyl)methyl)4methylpentanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4methoxybenzyl)4methylpentanamide
1574380565
75492194
COc1ccc(cc1)CNC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C
InChI=1SC35H43N3O7c120(2)1629(35(41)36192281124(424)12922)382815132526(1830(28)40)27(3721(3)39)1410231731(435)33(446)34(457)32(23)25h891113151718202729H10141619H217H3(H3641)(H3739)(H3840)t2729m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4methoxybenzyl)Lleucinamide
ZINC000108450504
ZINC108450504

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Available files

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