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

Catalog ID
STL541545
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)N2CCN(CC2)CCc2ccncc2)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 C36H45N5O6 MW 643.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H45N5O6/c1-24(42)39-29-9-7-26-22-32(45-2)35(46-3)36(47-4)34(26)27-8-10-30(31(43)23-28(27)29)38-14-5-6-33(44)41-20-18-40(19-21-41)17-13-25-11-15-37-16-12-25/h8,10-12,15-16,22-23,29H,5-7,9,13-14,17-21H2,1-4H3,(H,38,43)(H,39,42)/t29-/m0/s1
InChIKey
WNEJFIBMSCCHBS-LJAQVGFWSA-N
Synonyms
1574294-05-5
(S)N(123trimethoxy9oxo10((4oxo4(4(2(pyridin4yl)ethyl)piperazin1yl)butyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))123trimethoxy9oxo10((4oxo4(4(2pyridin4ylethyl)piperazin1yl)butyl)amino)67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574294055
75492425
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)N2CCN(CC2)CCc2ccncc2)NC(=O)C)cc(c1OC)OC
InChI=1SC36H45N5O6c124(42)392997262232(452)35(463)36(474)34(26)2781030(31(43)2328(27)29)38145633(44)41201840(192141)171325111537161225h810121516222329H57913141721H214H3(H3843)(H3942)t29m0s1
N((7S)123trimethoxy9oxo10((4oxo4(4(2(pyridin4yl)ethyl)piperazin1yl)butyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000108451137
ZINC108451137

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Available files

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