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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-benzimidazol-1-yl)ethyl]-L-alaninamide

Catalog ID
STL544995
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCn2cnc3c2cccc3)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 C33H37N5O6 MW 599.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37N5O6/c1-19(33(41)34-14-15-38-18-35-25-8-6-7-9-27(25)38)36-26-13-11-22-23(17-28(26)40)24(37-20(2)39)12-10-21-16-29(42-3)31(43-4)32(44-5)30(21)22/h6-9,11,13,16-19,24H,10,12,14-15H2,1-5H3,(H,34,41)(H,36,40)(H,37,39)/t19-,24-/m0/s1
InChIKey
FCCPPJJKPMTUAA-CYFREDJKSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(benzimidazol1yl)ethyl)propanamide
(S)N(2(1Hbenzo(d)imidazol1yl)ethyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamide
110207728
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCn2cnc3c2cccc3)C)NC(=O)C)cc(c1OC)OC
InChI=1SC33H37N5O6c119(33(41)34141538183525867927(25)38)362613112223(1728(26)40)24(3720(2)39)1210211629(423)31(434)32(445)30(21)22h691113161924H10121415H215H3(H3441)(H3640)(H3739)t1924m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(1Hbenzimidazol1yl)ethyl)Lalaninamide
ZINC000253400676
ZINC253400676

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Available files

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

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