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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-(1-methyl-1H-benzimidazol-2-yl)ethyl]-L-valinamide

Catalog ID
STL542453
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)NCCc1nc2c(n1C)cccc2)C(C)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 C36H43N5O6 MW 641.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N5O6/c1-20(2)33(36(44)37-17-16-31-39-26-10-8-9-11-28(26)41(31)4)40-27-15-13-23-24(19-29(27)43)25(38-21(3)42)14-12-22-18-30(45-5)34(46-6)35(47-7)32(22)23/h8-11,13,15,18-20,25,33H,12,14,16-17H2,1-7H3,(H,37,44)(H,38,42)(H,40,43)/t25-,33-/m0/s1
InChIKey
OMHLODJUZMYQRN-JQJBXXCASA-N
Synonyms
1574389-94-8
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2(1methylbenzimidazol2yl)ethyl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(2(1methyl1Hbenzo(d)imidazol2yl)ethyl)butanamide
1574389948
75491653
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)NCCc1nc2c(n1C)cccc2)C(C)C
InChI=1SC36H43N5O6c120(2)33(36(44)37171631392610891128(26)41(31)4)402715132324(1929(27)43)25(3821(3)42)1412221830(455)34(466)35(477)32(22)23h811131518202533H12141617H217H3(H3744)(H3842)(H4043)t2533m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(1methyl1Hbenzimidazol2yl)ethyl)Lvalinamide
ZINC000150653394
ZINC150653394

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Available files

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