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

Catalog ID
STL546535
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)N1CCc2c(C1)[nH]c1c2cccc1)C(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 C37H42N4O6 MW 638.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42N4O6/c1-20(2)34(37(44)41-16-15-24-23-9-7-8-10-27(23)39-30(24)19-41)40-29-14-12-25-26(18-31(29)43)28(38-21(3)42)13-11-22-17-32(45-4)35(46-5)36(47-6)33(22)25/h7-10,12,14,17-18,20,28,34,39H,11,13,15-16,19H2,1-6H3,(H,38,42)(H,40,43)/t28-,34-/m0
InChIKey
CEEXWPKGCAVUED-GVYVVWIYSA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S))3methyl1oxo1(1349tetrahydropyrido(34b)indol2yl)butan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541646
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)N1CCc2c(C1)(nH)c1c2cccc1)C(C)C
InChI=1SC37H42N4O6c120(2)34(37(44)41161524239781027(23)3930(24)1941)402914122526(1831(29)43)28(3821(3)42)1311221732(454)35(465)36(476)33(22)25h7101214171820283439H1113151619H216H3(H3842)(H4043)t2834m0s1
N((7S)123trimethoxy10(((2S)3methyl1oxo1(1349tetrahydro2Hbetacarbolin2yl)butan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(34dihydro1Hpyrido(34b)indol2(9H)yl)3methyl1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263584924
ZINC263584924

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Available files

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