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N-[(7S)-1,2,3-trimethoxy-10-({4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL544498
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C36H44N4O7 MW 644.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N4O7/c1-23(41)38-29-14-8-24-21-32(45-3)35(46-4)36(47-5)34(24)27-13-15-30(31(42)22-28(27)29)37-16-6-7-33(43)40-19-17-39(18-20-40)25-9-11-26(44-2)12-10-25/h9-13,15,21-22,29H,6-8,14,16-20H2,1-5H3,(H,37,42)(H,38,41)/t29-/m0/s1
InChIKey
LGTPUXVLDWDXDA-LJAQVGFWSA-N
Synonyms
1574379-40-0
(S)N(123trimethoxy10((4(4(4methoxyphenyl)piperazin1yl)4oxobutyl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))123trimethoxy10((4(4(4methoxyphenyl)piperazin1yl)4oxobutyl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574379400
75491085
COc1ccc(cc1)N1CCN(CC1)C(=O)CCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H44N4O7c123(41)3829148242132(453)35(464)36(475)34(24)27131530(31(42)2228(27)29)37166733(43)40191739(182040)2591126(442)121025h91315212229H68141620H215H3(H3742)(H3841)t29m0s1
N((7S)123trimethoxy10((4(4(4methoxyphenyl)piperazin1yl)4oxobutyl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653018
ZINC150653018

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Available files

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

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