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N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(3-cyclobutyl-1H-1,2,4-triazol-5-yl)isoleucinamide

Catalog ID
STL551104
SMILES CCC(C(C(=O)Nc1[nH]nc(n1)C1CCC1)Nc1ccc2c(cc1=O)C(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 C33H42N6O6 MW 618.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N6O6/c1-7-17(2)28(32(42)37-33-36-31(38-39-33)19-9-8-10-19)35-24-14-12-21-22(16-25(24)41)23(34-18(3)40)13-11-20-15-26(43-4)29(44-5)30(45-6)27(20)21/h12,14-17,19,23,28H,7-11,13H2,1-6H3,(H,34,40)(H,35,41)(H2,36,37,38,39,42)
InChIKey
WHZHWJXELWSJIY-UHFFFAOYSA-N
Synonyms

(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5cyclobutyl1H124triazol3yl)3methylpentanamide
132286116
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5cyclobutyl1~(H)124triazol3yl)3methylpentanamide
CC(C@H)((C@@H)(C(=O)Nc1n(nH)c(n1)C1CCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H42N6O6c1717(2)28(32(42)37333631(383933)19981019)352414122122(1625(24)41)23(3418(3)40)1311201526(434)29(445)30(456)27(20)21h121417192328H71113H216H3(H3440)(H3541)(H23637383942)
MFCD31757950
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3cyclobutyl1H124triazol5yl)isoleucinamide
ZINC000888089677
ZINC000888089680

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Available files

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

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