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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-[2-(1H-imidazol-4-yl)ethyl]-L-valinamide

Catalog ID
STL541650
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCc2c[nH]cn2)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 C31H39N5O6 MW 577.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N5O6/c1-17(2)28(31(39)33-12-11-20-15-32-16-34-20)36-24-10-8-21-22(14-25(24)38)23(35-18(3)37)9-7-19-13-26(40-4)29(41-5)30(42-6)27(19)21/h8,10,13-17,23,28H,7,9,11-12H2,1-6H3,(H,32,34)(H,33,39)(H,35,37)(H,36,38)/t23-,28-/m0/s1
InChIKey
UEYLVEVPZOBALN-FIPFOOKPSA-N
Synonyms
1574378-30-5
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(1~(H)imidazol5yl)ethyl)3methylbutanamide
(S)N(2(1Himidazol4yl)ethyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamide
1574378305
75491387
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCc2c(nH)cn2)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC31H39N5O6c117(2)28(31(39)331211201532163420)36241082122(1425(24)38)23(3518(3)37)97191326(404)29(415)30(426)27(19)21h81013172328H791112H216H3(H3234)(H3339)(H3537)(H3638)t2328m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(1Himidazol4yl)ethyl)Lvalinamide
ZINC000108448521
ZINC108448521

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Available files

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