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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-[3-(2-methyl-2H-tetrazol-5-yl)phenyl]-L-alaninamide

Catalog ID
STL545391
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2cccc(c2)c2nnn(n2)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 C32H35N7O6 MW 613.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N7O6/c1-17(32(42)35-21-9-7-8-20(14-21)31-36-38-39(3)37-31)33-25-13-11-22-23(16-26(25)41)24(34-18(2)40)12-10-19-15-27(43-4)29(44-5)30(45-6)28(19)22/h7-9,11,13-17,24H,10,12H2,1-6H3,(H,33,41)(H,34,40)(H,35,42)/t17-,24-/m0/s1
InChIKey
ACHSOLBIGWGKKJ-XDHUDOTRSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(2methyltetrazol5yl)phenyl)propanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(2methyl2Htetrazol5yl)phenyl)propanamide
110207096
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2cccc(c2)c2nnn(n2)C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC32H35N7O6c117(32(42)352197820(1421)31363839(3)3731)332513112223(1626(25)41)24(3418(2)40)1210191527(434)29(445)30(456)28(19)22h7911131724H1012H216H3(H3341)(H3440)(H3542)t1724m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(2methyl2Htetrazol5yl)phenyl)Lalaninamide
ZINC000253394385
ZINC253394385

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Available files

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

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