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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-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]isoleucinamide

Catalog ID
STL550460
SMILES CCC(C(C(=O)Nc1[nH]nc(n1)c1ccccc1OC)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 C36H42N6O7 MW 670.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42N6O7/c1-8-19(2)31(35(45)40-36-39-34(41-42-36)23-11-9-10-12-28(23)46-4)38-26-16-14-22-24(18-27(26)44)25(37-20(3)43)15-13-21-17-29(47-5)32(48-6)33(49-7)30(21)22/h9-12,14,16-19,25,31H,8,13,15H2,1-7H3,(H,37,43)(H,38,44)(H2,39,40,41,42,45)
InChIKey
FKNLUOXXSOTURF-UHFFFAOYSA-N
Synonyms

(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5(2methoxyphenyl)1H124triazol3yl)3methylpentanamide
132286114
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(2methoxyphenyl)1~(H)124triazol3yl)3methylpentanamide
CC(C@H)((C@@H)(C(=O)Nc1n(nH)c(n1)c1ccccc1OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H42N6O7c1819(2)31(35(45)40363934(414236)23119101228(23)464)382616142224(1827(26)44)25(3720(3)43)1513211729(475)32(486)33(497)30(21)22h9121416192531H81315H217H3(H3743)(H3844)(H23940414245)
MFCD31757602
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(2methoxyphenyl)1H124triazol5yl)isoleucinamide
ZINC000888089464
ZINC000888089467

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Available files

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