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

Catalog ID
STL544604
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCC(=O)N2CCN(CC2)C(=O)C2COc3c(O2)cccc3)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 C36H40N4O9 MW 672.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H40N4O9/c1-21(41)38-25-11-9-22-17-30(45-2)34(46-3)35(47-4)33(22)23-10-12-26(27(42)18-24(23)25)37-19-32(43)39-13-15-40(16-14-39)36(44)31-20-48-28-7-5-6-8-29(28)49-31/h5-8,10,12,17-18,25,31H,9,11,13-16,19-20H2,1-4H3,(H,37,42)(H,38,41)/t25-,31?/m
InChIKey
QEGVMYVOHMNRJM-ZGAORZAOSA-N
Synonyms
1574252-48-4
~(N)((7~(S))10((2(4(23dihydro14benzodioxine3carbonyl)piperazin1yl)2oxoethyl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574252484
75491559
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCC(=O)N2CCN(CC2)C(=O)C2COc3c(O2)cccc3)NC(=O)C)cc(c1OC)OC
InChI=1SC36H40N4O9c121(41)3825119221730(452)34(463)35(474)33(22)23101226(27(42)1824(23)25)371932(43)39131540(161439)36(44)31204828756829(28)4931h58101217182531H91113161920H214H3(H3742)(H3841)t2531?m0s1
N((7S)10((2(4(23dihydro14benzodioxin2ylcarbonyl)piperazin1yl)2oxoethyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((7S)10((2(4(23dihydrobenzo(b)(14)dioxine2carbonyl)piperazin1yl)2oxoethyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653312
ZINC000150653316

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Available files

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