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4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[3-(1,1-dioxido-1,2-thiazinan-2-yl)-4-methoxyphenyl]butanamide

Catalog ID
STL549881
SMILES COc1ccc(cc1N1CCCCS1(=O)=O)NC(=O)CCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C36H44N4O9S MW 708.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N4O9S/c1-22(41)38-27-13-10-23-19-32(47-3)35(48-4)36(49-5)34(23)25-12-14-28(30(42)21-26(25)27)37-16-8-9-33(43)39-24-11-15-31(46-2)29(20-24)40-17-6-7-18-50(40,44)45/h11-12,14-15,19-21,27H,6-10,13,16-18H2,1-5H3,(H,37,42)(H,38,41)(H,39,43)/t27-
InChIKey
HADHQAFZYCABHV-MHZLTWQESA-N
Synonyms

(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(11dioxido12thiazinan2yl)4methoxyphenyl)butanamide
127253601
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(11dioxothiazinan2yl)4methoxyphenyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(11dioxido12thiazinan2yl)4methoxyphenyl)butanamide
COc1ccc(cc1N1CCCCS1(=O)=O)NC(=O)CCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H44N4O9Sc122(41)38271310231932(473)35(484)36(495)34(23)25121428(30(42)2126(25)27)37168933(43)3924111531(462)29(2024)4017671850(4044)45h11121415192127H610131618H215H3(H3742)(H3841)(H3943)t27m0s1
ZINC000604403976
ZINC604403976

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Available files

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