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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-(tetrahydro-2H-pyran-4-ylmethyl)-L-leucinamide

Catalog ID
STL542297
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCC2CCOCC2)CC(C)C)NC(=O)C)cc(c1OC)OC

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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 C33H45N3O7 MW 595.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45N3O7/c1-19(2)15-27(33(39)34-18-21-11-13-43-14-12-21)36-26-10-8-23-24(17-28(26)38)25(35-20(3)37)9-7-22-16-29(40-4)31(41-5)32(42-6)30(22)23/h8,10,16-17,19,21,25,27H,7,9,11-15,18H2,1-6H3,(H,34,39)(H,35,37)(H,36,38)/t25-,27-/m0/s1
InChIKey
XBNYGNRCCLBOJF-BDYUSTAISA-N
Synonyms
1574343-01-3
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methyl~(N)(oxan4ylmethyl)pentanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylN((tetrahydro2Hpyran4yl)methyl)pentanamide
1574343013
75492501
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCC2CCOCC2)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC33H45N3O7c119(2)1527(33(39)341821111343141221)36261082324(1728(26)38)25(3520(3)37)97221629(404)31(415)32(426)30(22)23h810161719212527H79111518H216H3(H3439)(H3537)(H3638)t2527m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(tetrahydro2Hpyran4ylmethyl)Lleucinamide
ZINC000108451348
ZINC108451348

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Available files

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

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