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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(6-methylpyridin-2-yl)-L-isoleucinamide

Catalog ID
STL550266
SMILES CC[C@H]([C@@H](C(=O)Nc1cccc(n1)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 C33H40N4O6 MW 588.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40N4O6/c1-8-18(2)30(33(40)37-28-11-9-10-19(3)34-28)36-25-15-13-22-23(17-26(25)39)24(35-20(4)38)14-12-21-16-27(41-5)31(42-6)32(43-7)29(21)22/h9-11,13,15-18,24,30H,8,12,14H2,1-7H3,(H,35,38)(H,36,39)(H,34,37,40)/t18-,24+,30+/m1/s1
InChIKey
RUXHVYHHKJKYKT-RWVMMXNJSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(6methylpyridin2yl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(6methylpyridin2yl)pentanamide
127253286
CC(C@H)((C@@H)(C(=O)Nc1cccc(n1)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H40N4O6c1818(2)30(33(40)37281191019(3)3428)362515132223(1726(25)39)24(3520(4)38)1412211627(415)31(426)32(437)29(21)22h9111315182430H81214H217H3(H3538)(H3639)(H343740)t1824+30+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(6methylpyridin2yl)Lisoleucinamide
ZINC000604405605
ZINC604405605

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Available files

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

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