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

Catalog ID
STL540309
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N2CCN(CC2)c2ccccc2)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 C36H44N4O6 MW 628.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N4O6/c1-22(2)33(36(43)40-18-16-39(17-19-40)25-10-8-7-9-11-25)38-29-15-13-26-27(21-30(29)42)28(37-23(3)41)14-12-24-20-31(44-4)34(45-5)35(46-6)32(24)26/h7-11,13,15,20-22,28,33H,12,14,16-19H2,1-6H3,(H,37,41)(H,38,42)/t28-,33-/m0/s1
InChIKey
WCGBOZUAUZDHQR-UVMMSNCQSA-N
Synonyms
1574390-33-2
~(N)((7~(S))123trimethoxy10(((2~(S))3methyl1oxo1(4phenylpiperazin1yl)butan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574390332
75491784
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N2CCN(CC2)c2ccccc2)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC36H44N4O6c122(2)33(36(43)40181639(171940)25108791125)382915132627(2130(29)42)28(3723(3)41)1412242031(444)34(455)35(466)32(24)26h711131520222833H12141619H216H3(H3741)(H3842)t2833m0s1
N((7S)123trimethoxy10(((2S)3methyl1oxo1(4phenylpiperazin1yl)butan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((S)3methyl1oxo1(4phenylpiperazin1yl)butan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000108449529
ZINC108449529

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Available files

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