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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-(1-methyl-1H-benzimidazol-5-yl)-L-valinamide

Catalog ID
STL540296
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2ccc3c(c2)ncn3C)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 C34H39N5O6 MW 613.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N5O6/c1-18(2)31(34(42)37-21-9-13-27-26(15-21)35-17-39(27)4)38-25-12-10-22-23(16-28(25)41)24(36-19(3)40)11-8-20-14-29(43-5)32(44-6)33(45-7)30(20)22/h9-10,12-18,24,31H,8,11H2,1-7H3,(H,36,40)(H,37,42)(H,38,41)/t24-,31-/m0/s1
InChIKey
YGIOEHWCAPIUJK-DLLPINGYSA-N
Synonyms
1574393-59-1
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(1methylbenzimidazol5yl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(1methyl1Hbenzo(d)imidazol5yl)butanamide
1574393591
75491625
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2ccc3c(c2)ncn3C)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC34H39N5O6c118(2)31(34(42)37219132726(1521)351739(27)4)382512102223(1628(25)41)24(3619(3)40)118201429(435)32(446)33(457)30(20)22h91012182431H811H217H3(H3640)(H3742)(H3841)t2431m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1methyl1Hbenzimidazol5yl)Lvalinamide
ZINC000108449127
ZINC108449127

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Available files

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