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-(3-methylbutyl)-L-isoleucinamide
Catalog ID
STL540351
SMILES CC[C@H]([C@@H](C(=O)NCCC(C)C)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 C32H45N3O6 MW 567.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H45N3O6/c1-9-19(4)29(32(38)33-15-14-18(2)3)35-25-13-11-22-23(17-26(25)37)24(34-20(5)36)12-10-21-16-27(39-6)30(40-7)31(41-8)28(21)22/h11,13,16-19,24,29H,9-10,12,14-15H2,1-8H3,(H,33,38)(H,34,36)(H,35,37)/t19-,24+,29+/m1/s1InChIKey
PNMBODILJOTBEM-CHNYNYQGSA-NSynonyms
1574380-76-9(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(3methylbutyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Nisopentyl3methylpentanamide
1574380769
75491259
CC(C@H)((C@@H)(C(=O)NCCC(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC32H45N3O6c1919(4)29(32(38)33151418(2)3)352513112223(1726(25)37)24(3420(5)36)1210211627(396)30(407)31(418)28(21)22h111316192429H910121415H218H3(H3338)(H3436)(H3537)t1924+29+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3methylbutyl)Lisoleucinamide
ZINC000108448126
ZINC108448126
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.