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

Catalog ID
STL543637
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N2CCN(CC2)Cc2ccccc2)C(C)C)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 C37H46N4O6 MW 642.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H46N4O6/c1-23(2)34(37(44)41-18-16-40(17-19-41)22-25-10-8-7-9-11-25)39-30-15-13-27-28(21-31(30)43)29(38-24(3)42)14-12-26-20-32(45-4)35(46-5)36(47-6)33(26)27/h7-11,13,15,20-21,23,29,34H,12,14,16-19,22H2,1-6H3,(H,38,42)(H,39,43)/t29-,34-/m0/s1
InChIKey
DJLNTCRLEVPJJT-DODOAAEWSA-N
Synonyms
1574392-31-6
~(N)((7~(S))10(((2~(S))1(4benzylpiperazin1yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574392316
75490973
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N2CCN(CC2)Cc2ccccc2)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC37H46N4O6c123(2)34(37(44)41181640(171941)2225108791125)393015132728(2131(30)43)29(3824(3)42)1412262032(454)35(465)36(476)33(26)27h71113152021232934H1214161922H216H3(H3842)(H3943)t2934m0s1
N((7S)10(((2S)1(4benzylpiperazin1yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(4benzylpiperazin1yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000108447381
ZINC108447381

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Available files

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