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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-(pyridin-2-ylmethyl)-L-isoleucinamide

Catalog ID
STL540656
SMILES CC[C@H]([C@@H](C(=O)NCc1ccccn1)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/c1-7-19(2)30(33(40)35-18-22-10-8-9-15-34-22)37-26-14-12-23-24(17-27(26)39)25(36-20(3)38)13-11-21-16-28(41-4)31(42-5)32(43-6)29(21)23/h8-10,12,14-17,19,25,30H,7,11,13,18H2,1-6H3,(H,35,40)(H,36,38)(H,37,39)/t19-,25+,30+/m1/s1
InChIKey
OGJYGHUKEZIGQK-PFTPNIEWSA-N
Synonyms
1574346-83-0
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(pyridin2ylmethyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(pyridin2ylmethyl)pentanamide
1574346830
75492456
CC(C@H)((C@@H)(C(=O)NCc1ccccn1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H40N4O6c1719(2)30(33(40)3518221089153422)372614122324(1727(26)39)25(3620(3)38)1311211628(414)31(425)32(436)29(21)23h810121417192530H7111318H216H3(H3540)(H3638)(H3739)t1925+30+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(pyridin2ylmethyl)Lisoleucinamide
ZINC000108451237
ZINC108451237

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Available files

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

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