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

Catalog ID
STL551260
SMILES CC[C@H]([C@@H](C(=O)N1CCN(CC1)CCc1ccncc1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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/c1-7-24(2)35(38(46)43-20-18-42(19-21-43)17-14-26-12-15-39-16-13-26)41-31-11-9-28-29(23-32(31)45)30(40-25(3)44)10-8-27-22-33(47-4)36(48-5)37(49-6)34(27)28/h9,11-13,15-16,22-24,30,35H,7-8,10,14,17-21H2,1-6H3,(H,40,44)(H,41,45)/t24-,30+,3
InChIKey
JVPOYWRRASJMPI-PUVPBFTGSA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S)3~(R))3methyl1oxo1(4(2pyridin4ylethyl)piperazin1yl)pentan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
127253522
CC(C@H)((C@@H)(C(=O)N1CCN(CC1)CCc1ccncc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H49N5O6c1724(2)35(38(46)43201842(192143)171426121539161326)41311192829(2332(31)45)30(4025(3)44)108272233(474)36(485)37(496)34(27)28h91113151622243035H7810141721H216H3(H4044)(H4145)t2430+35+m1s1
N((7S)123trimethoxy10(((2S)3methyl1oxo1(4(2(pyridin4yl)ethyl)piperazin1yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((2S3R)3methyl1oxo1(4(2(pyridin4yl)ethyl)piperazin1yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000604404122
ZINC604404122

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Available files

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