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N-[(7S)-1,2,3-trimethoxy-10-{[(2S)-1-(8-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-4-methyl-1-oxopentan-2-yl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL549254
SMILES COc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)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 C39H46N4O7 MW 682.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H46N4O7/c1-21(2)16-33(39(46)43-15-14-31-28(20-43)26-18-24(47-4)9-12-30(26)41-31)42-32-13-10-25-27(19-34(32)45)29(40-22(3)44)11-8-23-17-35(48-5)37(49-6)38(50-7)36(23)25/h9-10,12-13,17-19,21,29,33,41H,8,11,14-16,20H2,1-7H3,(H,40,44)(H,42,45)/t29
InChIKey
DWSRDFDCGWWFQT-ZQAZVOLISA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S))1(8methoxy1345tetrahydropyrido(43b)indol2yl)4methyl1oxopentan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541573
COc1ccc2c(c1)c1CN(CCc1(nH)2)C(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C
InChI=1SC39H46N4O7c121(2)1633(39(46)4315143128(2043)261824(474)91230(26)4131)423213102527(1934(32)45)29(4022(3)44)118231735(485)37(496)38(507)36(23)25h9101213171921293341H811141620H217H3(H4044)(H4245)t2933m0s1
N((7S)123trimethoxy10(((2S)1(8methoxy1345tetrahydro2Hpyrido(43b)indol2yl)4methyl1oxopentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((S)1(8methoxy34dihydro1Hpyrido(43b)indol2(5H)yl)4methyl1oxopentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585078
ZINC263585078

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Available files

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