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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-2-yl)ethyl]-L-alaninamide

Catalog ID
STL544913
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)NCCc1nc2c([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 C33H37N5O6 MW 599.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37N5O6/c1-18(33(41)34-15-14-29-37-24-8-6-7-9-25(24)38-29)35-26-13-11-21-22(17-27(26)40)23(36-19(2)39)12-10-20-16-28(42-3)31(43-4)32(44-5)30(20)21/h6-9,11,13,16-18,23H,10,12,14-15H2,1-5H3,(H,34,41)(H,35,40)(H,36,39)(H,37,38)/t18-,23-/m0/s1
InChIKey
IKWIWPHIOMXEKT-MBSDFSHPSA-N
Synonyms
1574345-13-3
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(1~(H)benzimidazol2yl)ethyl)propanamide
(S)N(2(1Hbenzo(d)imidazol2yl)ethyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamide
1574345133
75491284
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)NCCc1nc2c((nH)1)cccc2)C
InChI=1SC33H37N5O6c118(33(41)341514293724867925(24)3829)352613112122(1727(26)40)23(3619(2)39)1210201628(423)31(434)32(445)30(20)21h691113161823H10121415H215H3(H3441)(H3540)(H3639)(H3738)t1823m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(1Hbenzimidazol2yl)ethyl)Lalaninamide
ZINC000108448211
ZINC108448211

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Available files

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