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

Catalog ID
STL540977
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)N2CCN(CC2)C(=O)C2COc3c(O2)cccc3)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 C38H44N4O9 MW 700.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H44N4O9/c1-23(43)40-27-13-11-24-20-32(47-2)36(48-3)37(49-4)35(24)25-12-14-28(29(44)21-26(25)27)39-15-7-10-34(45)41-16-18-42(19-17-41)38(46)33-22-50-30-8-5-6-9-31(30)51-33/h5-6,8-9,12,14,20-21,27,33H,7,10-11,13,15-19,22H2,1-4H3,(H,39,44)(H,40,4
InChIKey
CEHCYBDPJUBIFE-GFDSEFBSSA-N
Synonyms
1574252-87-1
~(N)((7~(S))10((4(4(23dihydro14benzodioxine3carbonyl)piperazin1yl)4oxobutyl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574252871
75492339
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)N2CCN(CC2)C(=O)C2COc3c(O2)cccc3)NC(=O)C)cc(c1OC)OC
InChI=1SC38H44N4O9c123(43)40271311242032(472)36(483)37(494)35(24)25121428(29(44)2126(25)27)391571034(45)41161842(191741)38(46)33225030856931(30)5133h5689121420212733H7101113151922H214H3(H3944)(H4043)t2733?m0s1
N((7S)10((4(4(23dihydro14benzodioxin2ylcarbonyl)piperazin1yl)4oxobutyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((7S)10((4(4(23dihydrobenzo(b)(14)dioxine2carbonyl)piperazin1yl)4oxobutyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653770
ZINC000150653772

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Available files

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