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

Catalog ID
STL551007
SMILES COc1ccc(c(c1)OC)c1n[nH]c(n1)NC(=O)C(C(CC)C)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C37H44N6O8 MW 700.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N6O8/c1-9-19(2)32(36(46)41-37-40-35(42-43-37)24-12-11-22(47-4)17-29(24)48-5)39-27-15-13-23-25(18-28(27)45)26(38-20(3)44)14-10-21-16-30(49-6)33(50-7)34(51-8)31(21)23/h11-13,15-19,26,32H,9-10,14H2,1-8H3,(H,38,44)(H,39,45)(H2,40,41,42,43,46)
InChIKey
PJXHFJGGWYEHGO-UHFFFAOYSA-N
Synonyms

(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5(24dimethoxyphenyl)1H124triazol3yl)3methylpentanamide
132286046
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(24dimethoxyphenyl)1~(H)124triazol3yl)3methylpentanamide
COc1ccc(c(c1)OC)c1(nH)nc(n1)NC(=O)(C@H)((C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H44N6O8c1919(2)32(36(46)41374035(424337)24121122(474)1729(24)485)392715132325(1828(27)45)26(3820(3)44)1410211630(496)33(507)34(518)31(21)23h111315192632H91014H218H3(H3844)(H3945)(H24041424346)
MFCD31757894
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(24dimethoxyphenyl)1H124triazol5yl)isoleucinamide
ZINC000888089224
ZINC000888089227

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Available files

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