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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-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-L-valinamide

Catalog ID
STL547599
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)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 C35H41N5O7 MW 643.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N5O7/c1-18(2)31(34(43)37-21-10-14-26-27(16-21)40(5)35(44)39(26)4)38-25-13-11-22-23(17-28(25)42)24(36-19(3)41)12-9-20-15-29(45-6)32(46-7)33(47-8)30(20)22/h10-11,13-18,24,31H,9,12H2,1-8H3,(H,36,41)(H,37,43)(H,38,42)/t24-,31-/m0/s1
InChIKey
JBRNKMLOGHXJAS-DLLPINGYSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(13dimethyl2oxobenzimidazol5yl)3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(13dimethyl2oxo23dihydro1Hbenzo(d)imidazol5yl)3methylbutanamide
121541005
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC35H41N5O7c118(2)31(34(43)372110142627(1621)40(5)35(44)39(26)4)382513112223(1728(25)42)24(3619(3)41)129201529(456)32(467)33(478)30(20)22h101113182431H912H218H3(H3641)(H3743)(H3842)t2431m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(13dimethyl2oxo23dihydro1Hbenzimidazol5yl)Lvalinamide
ZINC000263585470
ZINC263585470

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Available files

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