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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-(1H-benzimidazol-2-ylmethyl)-L-alaninamide

Catalog ID
STL541806
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)NCc1nc2c([nH]1)cccc2)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 C32H35N5O6 MW 585.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N5O6/c1-17(32(40)33-16-28-36-23-8-6-7-9-24(23)37-28)34-25-13-11-20-21(15-26(25)39)22(35-18(2)38)12-10-19-14-27(41-3)30(42-4)31(43-5)29(19)20/h6-9,11,13-15,17,22H,10,12,16H2,1-5H3,(H,33,40)(H,34,39)(H,35,38)(H,36,37)/t17-,22-/m0/s1
InChIKey
HTNBHYVJVSOPRP-JTSKRJEESA-N
Synonyms
1574376-70-7
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1~(H)benzimidazol2ylmethyl)propanamide
(S)N((1Hbenzo(d)imidazol2yl)methyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamide
1574376707
75490985
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)NCc1nc2c((nH)1)cccc2)C
InChI=1SC32H35N5O6c117(32(40)3316283623867924(23)3728)342513112021(1526(25)39)22(3518(2)38)1210191427(413)30(424)31(435)29(19)20h691113151722H101216H215H3(H3340)(H3439)(H3538)(H3637)t1722m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1Hbenzimidazol2ylmethyl)Lalaninamide
ZINC000108447403
ZINC108447403

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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