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

Catalog ID
STL541280
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)N1CCN(CC1)C(=O)c1ccco1)CC(C)C)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 C36H44N4O8 MW 660.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N4O8/c1-21(2)18-28(35(43)39-13-15-40(16-14-39)36(44)30-8-7-17-48-30)38-27-12-10-24-25(20-29(27)42)26(37-22(3)41)11-9-23-19-31(45-4)33(46-5)34(47-6)32(23)24/h7-8,10,12,17,19-21,26,28H,9,11,13-16,18H2,1-6H3,(H,37,41)(H,38,42)/t26-,28-/m0/s1
InChIKey
PJWPKAICGKQWBC-XCZPVHLTSA-N
Synonyms
1574390-67-2
~(N)((7~(S))10(((2~(S))1(4(furan2carbonyl)piperazin1yl)4methyl1oxopentan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574390672
75492358
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)N1CCN(CC1)C(=O)c1ccco1)CC(C)C)NC(=O)C
InChI=1SC36H44N4O8c121(2)1828(35(43)39131540(161439)36(44)3087174830)382712102425(2029(27)42)26(3722(3)41)119231931(454)33(465)34(476)32(23)24h7810121719212628H911131618H216H3(H3741)(H3842)t2628m0s1
N((7S)10(((2S)1(4(furan2ylcarbonyl)piperazin1yl)4methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(4(furan2carbonyl)piperazin1yl)4methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653779
ZINC150653779

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Available files

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