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-(2-methylpropyl)-L-isoleucinamide
Catalog ID
STL540047
SMILES CC[C@H]([C@@H](C(=O)NCC(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 C31H43N3O6 MW 553.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H43N3O6/c1-9-18(4)28(31(37)32-16-17(2)3)34-24-13-11-21-22(15-25(24)36)23(33-19(5)35)12-10-20-14-26(38-6)29(39-7)30(40-8)27(20)21/h11,13-15,17-18,23,28H,9-10,12,16H2,1-8H3,(H,32,37)(H,33,35)(H,34,36)/t18-,23+,28+/m1/s1InChIKey
NDPZDESKIMJKTC-CLAHJSNCSA-NSynonyms
1574397-49-1(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2methylpropyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Nisobutyl3methylpentanamide
1574397491
75491906
CC(C@H)((C@@H)(C(=O)NCC(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC31H43N3O6c1918(4)28(31(37)321617(2)3)342413112122(1525(24)36)23(3319(5)35)1210201426(386)29(397)30(408)27(20)21h11131517182328H9101216H218H3(H3237)(H3335)(H3436)t1823+28+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2methylpropyl)Lisoleucinamide
ZINC000108449825
ZINC108449825
Check stock
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Check stock on Vitas-MAvailable files
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