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(1-{[(6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoyl)amino]methyl}cyclohexyl)acetic acid

Catalog ID
STL542984
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCC(=O)NCC2(CCCCC2)CC(=O)O)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 C36H49N3O8 MW 651.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H49N3O8/c1-23(40)39-27-14-12-24-19-30(45-2)34(46-3)35(47-4)33(24)25-13-15-28(29(41)20-26(25)27)37-18-10-5-7-11-31(42)38-22-36(21-32(43)44)16-8-6-9-17-36/h13,15,19-20,27H,5-12,14,16-18,21-22H2,1-4H3,(H,37,41)(H,38,42)(H,39,40)(H,43,44)/t27-/m0/
InChIKey
HABNVYQVCSYYNH-MHZLTWQESA-N
Synonyms

(1(((6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)amino)methyl)cyclohexyl)aceticacid
(S)2(1((6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanamido)methyl)cyclohexyl)aceticacid
110206326
2(1((6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoylamino)methyl)cyclohexyl)aceticacid
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCCCC(=O)NCC2(CCCCC2)CC(=O)O)NC(=O)C)cc(c1OC)OC
InChI=1SC36H49N3O8c123(40)39271412241930(452)34(463)35(474)33(24)25131528(29(41)2026(25)27)371810571131(42)382236(2132(43)44)168691736h1315192027H5121416182122H214H3(H3741)(H3842)(H3940)(H4344)t27m0s1
ZINC000253403273
ZINC253403273

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Available files

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

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