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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-(1H-1,2,4-triazol-3-yl)phenyl]-L-alaninamide

Catalog ID
STL544370
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2cccc(c2)c2n[nH]cn2)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 C32H34N6O6 MW 598.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N6O6/c1-17(32(41)37-21-8-6-7-20(13-21)31-33-16-34-38-31)35-25-12-10-22-23(15-26(25)40)24(36-18(2)39)11-9-19-14-27(42-3)29(43-4)30(44-5)28(19)22/h6-8,10,12-17,24H,9,11H2,1-5H3,(H,35,40)(H,36,39)(H,37,41)(H,33,34,38)/t17-,24-/m0/s1
InChIKey
UWQXCTYFUIYTGW-XDHUDOTRSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(1~(H)124triazol5yl)phenyl)propanamide
(S)N(3(1H124triazol3yl)phenyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamide
91637171
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2cccc(c2)c2n(nH)cn2)C)NC(=O)C)cc(c1OC)OC
InChI=1SC32H34N6O6c117(32(41)372186720(1321)313316343831)352512102223(1526(25)40)24(3618(2)39)119191427(423)29(434)30(445)28(19)22h6810121724H911H215H3(H3540)(H3639)(H3741)(H333438)t1724m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(1H124triazol3yl)phenyl)Lalaninamide
ZINC000217705714
ZINC217705714

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Available files

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

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