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(7S)-N-[(2S)-1-(hexylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-5-oxo-7,8,13,13b-tetrahydro-5H-benzo[1,2]indolizino[8,7-b]indole-7-carboxamide

Catalog ID
STL533722
SMILES CCCCCCNC(=O)[C@@H](NC(=O)[C@@H]1Cc2c(C3N1C(=O)c1c3cccc1)[nH]c1c2cccc1)CCSC

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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 C30H36N4O3S MW 532.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N4O3S/c1-3-4-5-10-16-31-28(35)24(15-17-38-2)33-29(36)25-18-22-19-11-8-9-14-23(19)32-26(22)27-20-12-6-7-13-21(20)30(37)34(25)27/h6-9,11-14,24-25,27,32H,3-5,10,15-18H2,1-2H3,(H,31,35)(H,33,36)/t24-,25-,27?/m0/s1
InChIKey
YHMQTQSVEOMQTG-MVAOMIMOSA-N
Synonyms
957044-25-6
(11~(S))~(N)((2~(S))1(hexylamino)4methylsulfanyl1oxobutan2yl)9oxo1020diazapentacyclo(11700^(210)0^(38)0^(1419))icosa1(13)357141618heptaene11carboxamide
(7S)N((2S)1(hexylamino)4(methylsulfanyl)1oxobutan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
(7S)N((S)1(hexylamino)4(methylthio)1oxobutan2yl)5oxo781313btetrahydro5Hbenzo(12)indolizino(87b)indole7carboxamide
16405943
957044256
CCCCCCNC(=O)(C@@H)(NC(=O)(C@@H)1Cc2c(C3N1C(=O)c1c3cccc1)(nH)c1c2cccc1)CCSC
InChI=1SC30H36N4O3Sc134510163128(35)24(1517382)3329(36)2518221911891423(19)3226(22)272012671321(20)30(37)34(25)27h69111424252732H35101518H212H3(H3135)(H3336)t242527?m0s1
MFCD07637325
ZINC000008876259
ZINC000008876260

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Available files

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