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

Catalog ID
STL551442
SMILES CCC(C(C(=O)Nc1[nH]nc(n1)c1cc2c([nH]1)cccc2)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 C37H41N7O6 MW 679.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H41N7O6/c1-7-19(2)32(36(47)42-37-41-35(43-44-37)28-16-21-10-8-9-11-25(21)39-28)40-27-15-13-23-24(18-29(27)46)26(38-20(3)45)14-12-22-17-30(48-4)33(49-5)34(50-6)31(22)23/h8-11,13,15-19,26,32,39H,7,12,14H2,1-6H3,(H,38,45)(H,40,46)(H2,41,42,43,44,
InChIKey
PGERWJLHYICYQT-UHFFFAOYSA-N
Synonyms

(2S3R)N(5(1Hindol2yl)1H124triazol3yl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamide
135639961
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(1~(H)indol2yl)1~(H)124triazol3yl)3methylpentanamide
CC(C@H)((C@@H)(C(=O)Nc1n(nH)c(n1)c1cc2c((nH)1)cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC37H41N7O6c1719(2)32(36(47)42374135(434437)28162110891125(21)3928)402715132324(1829(27)46)26(3820(3)45)1412221730(484)33(495)34(506)31(22)23h811131519263239H71214H216H3(H3845)(H4046)(H24142434447)
MFCD31758141
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(1Hindol2yl)1H124triazol5yl)isoleucinamide
ZINC000888090268
ZINC000888090271

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Available files

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