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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-methoxypyridin-3-yl)-L-isoleucinamide

Catalog ID
STL542865
SMILES COc1ccc(cn1)NC(=O)[C@H]([C@@H](CC)C)Nc1ccc2c(cc1=O)[C@H](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 C33H40N4O7 MW 604.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40N4O7/c1-8-18(2)30(33(40)36-21-10-14-28(42-5)34-17-21)37-25-13-11-22-23(16-26(25)39)24(35-19(3)38)12-9-20-15-27(41-4)31(43-6)32(44-7)29(20)22/h10-11,13-18,24,30H,8-9,12H2,1-7H3,(H,35,38)(H,36,40)(H,37,39)/t18-,24+,30+/m1/s1
InChIKey
HOIMJLSDEXEMFS-RWVMMXNJSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(6methoxypyridin3yl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(6methoxypyridin3yl)3methylpentanamide
110206259
COc1ccc(cn1)NC(=O)(C@H)((C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC33H40N4O7c1818(2)30(33(40)3621101428(425)341721)372513112223(1626(25)39)24(3519(3)38)129201527(414)31(436)32(447)29(20)22h101113182430H8912H217H3(H3538)(H3640)(H3739)t1824+30+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(6methoxypyridin3yl)Lisoleucinamide
ZINC000253403918
ZINC253403918

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Available files

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

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