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

Catalog ID
STL545437
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)N1CCN(CC1)CCc1ccccn1)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 C38H49N5O6 MW 671.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H49N5O6/c1-26(44)41-31-14-12-27-24-34(47-2)37(48-3)38(49-4)36(27)29-13-15-32(33(45)25-30(29)31)40-18-8-5-6-11-35(46)43-22-20-42(21-23-43)19-16-28-10-7-9-17-39-28/h7,9-10,13,15,17,24-25,31H,5-6,8,11-12,14,16,18-23H2,1-4H3,(H,40,45)(H,41,44)/t31
InChIKey
PVSZWFQUCCPVRA-HKBQPEDESA-N
Synonyms
1574377-89-1
(S)N(123trimethoxy9oxo10((6oxo6(4(2(pyridin2yl)ethyl)piperazin1yl)hexyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))123trimethoxy9oxo10((6oxo6(4(2pyridin2ylethyl)piperazin1yl)hexyl)amino)67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574377891
75491306
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)N1CCN(CC1)CCc1ccccn1)NC(=O)C
InChI=1SC38H49N5O6c126(44)41311412272434(472)37(483)38(494)36(27)29131532(33(45)2530(29)31)40188561135(46)43222042(212343)1916281079173928h7910131517242531H568111214161823H214H3(H4045)(H4144)t31m0s1
N((7S)123trimethoxy9oxo10((6oxo6(4(2(pyridin2yl)ethyl)piperazin1yl)hexyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653158
ZINC150653158

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Available files

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