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

Catalog ID
STL541982
SMILES CC[C@H]([C@@H](C(=O)N1CCN(CC1)Cc1ccccc1)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 C38H48N4O6 MW 656.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H48N4O6/c1-7-24(2)35(38(45)42-19-17-41(18-20-42)23-26-11-9-8-10-12-26)40-31-16-14-28-29(22-32(31)44)30(39-25(3)43)15-13-27-21-33(46-4)36(47-5)37(48-6)34(27)28/h8-12,14,16,21-22,24,30,35H,7,13,15,17-20,23H2,1-6H3,(H,39,43)(H,40,44)/t24-,30+,35+
InChIKey
QVRLQXVWKOHCJQ-PUVPBFTGSA-N
Synonyms

~(N)((7~(S))10(((2~(S)3~(R))1(4benzylpiperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
75492108
CC(C@H)((C@@H)(C(=O)N1CCN(CC1)Cc1ccccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CCl
InChI=1SC38H48N4O6c1724(2)35(38(45)42191741(182042)23261198101226)403116142829(2232(31)44)30(3925(3)43)1513272133(464)36(475)37(486)34(27)28h81214162122243035H71315172023H216H3(H3943)(H4044)t2430+35+m1s1
N((7S)10(((2S)1(4benzylpiperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((2S3R)1(4benzylpiperazin1yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamidehydrochloride
ZINC000150653637
ZINC150653637

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Available files

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