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

Catalog ID
STL542587
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N2CCN(CC2)C(=O)C2COc3c(O2)cccc3)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 C37H42N4O9 MW 686.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42N4O9/c1-21(36(44)40-14-16-41(17-15-40)37(45)32-20-49-29-8-6-7-9-30(29)50-32)38-27-13-11-24-25(19-28(27)43)26(39-22(2)42)12-10-23-18-31(46-3)34(47-4)35(48-5)33(23)24/h6-9,11,13,18-19,21,26,32H,10,12,14-17,20H2,1-5H3,(H,38,43)(H,39,42)/t21-,2
InChIKey
VETIJTWGGAYTGL-AFCSSTDGSA-N
Synonyms
1574251-78-7
~(N)((7~(S))10(((2~(S))1(4(23dihydro14benzodioxine3carbonyl)piperazin1yl)1oxopropan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574251787
75491347
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N2CCN(CC2)C(=O)C2COc3c(O2)cccc3)C)NC(=O)C)cc(c1OC)OC
InChI=1SC37H42N4O9c121(36(44)40141641(171540)37(45)32204929867930(29)5032)382713112425(1928(27)43)26(3922(2)42)1210231831(463)34(474)35(485)33(23)24h6911131819212632H1012141720H215H3(H3843)(H3942)t212632?m0s1
N((7S)10(((2S)1(4(23dihydro14benzodioxin2ylcarbonyl)piperazin1yl)1oxopropan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((7S)10(((2S)1(4(23dihydrobenzo(b)(14)dioxine2carbonyl)piperazin1yl)1oxopropan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653161
ZINC000150653163

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Available files

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