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

Catalog ID
STL548626
SMILES COc1ccc(cc1NC(=O)[C@H](C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C35H42N4O8 MW 646.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H42N4O8/c1-18(2)32(35(43)39-27-16-22(36-19(3)40)10-14-29(27)44-5)38-26-13-11-23-24(17-28(26)42)25(37-20(4)41)12-9-21-15-30(45-6)33(46-7)34(47-8)31(21)23/h10-11,13-18,25,32H,9,12H2,1-8H3,(H,36,40)(H,37,41)(H,38,42)(H,39,43)/t25-,32-/m0/s1
InChIKey
UFCGWNLJWZEMJY-UKJJDJLKSA-N
Synonyms

(2~(S))~(N)(5acetamido2methoxyphenyl)2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5acetamido2methoxyphenyl)3methylbutanamide
110207511
COc1ccc(cc1NC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)NC(=O)C
InChI=1SC35H42N4O8c118(2)32(35(43)39271622(3619(3)40)101429(27)445)382613112324(1728(26)42)25(3720(4)41)129211530(456)33(467)34(478)31(21)23h101113182532H912H218H3(H3640)(H3741)(H3842)(H3943)t2532m0s1
N(5(acetylamino)2methoxyphenyl)N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lvalinamide
ZINC000253413236
ZINC253413236

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Available files

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

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