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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-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-L-valinamide

Catalog ID
STL542652
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N[C@H](c2nnc3n2cccc3)C)C(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 C34H40N6O6 MW 628.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H40N6O6/c1-18(2)30(34(43)35-19(3)33-39-38-28-10-8-9-15-40(28)33)37-25-14-12-22-23(17-26(25)42)24(36-20(4)41)13-11-21-16-27(44-5)31(45-6)32(46-7)29(21)22/h8-10,12,14-19,24,30H,11,13H2,1-7H3,(H,35,43)(H,36,41)(H,37,42)/t19-,24-,30-/m0/s1
InChIKey
BIKVASXWQMQYJK-MDERBLSRSA-N
Synonyms
1574392-06-5
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)((1~(S))1((124)triazolo(43a)pyridin3yl)ethyl)butanamide
(S)N((S)1((124)triazolo(43a)pyridin3yl)ethyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamide
1574392065
75492555
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N(C@H)(c2nnc3n2cccc3)C)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC34H40N6O6c118(2)30(34(43)3519(3)3339382810891540(28)33)372514122223(1726(25)42)24(3620(4)41)1311211627(445)31(456)32(467)29(21)22h8101214192430H1113H217H3(H3543)(H3641)(H3742)t192430m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1S)1((124)triazolo(43a)pyridin3yl)ethyl)Lvalinamide
ZINC000108451477
ZINC108451477

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Available files

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