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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-[4-(1,1-dioxido-1,2-thiazolidin-2-yl)phenyl]butanamide

Catalog ID
STL544179
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc(cc2)N2CCCS2(=O)=O)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 C34H40N4O8S MW 664.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H40N4O8S/c1-21(39)36-27-14-8-22-19-30(44-2)33(45-3)34(46-4)32(22)25-13-15-28(29(40)20-26(25)27)35-16-5-7-31(41)37-23-9-11-24(12-10-23)38-17-6-18-47(38,42)43/h9-13,15,19-20,27H,5-8,14,16-18H2,1-4H3,(H,35,40)(H,36,39)(H,37,41)/t27-/m0/s1
InChIKey
KWZQJTMVMXIUQM-MHZLTWQESA-N
Synonyms

(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(11dioxidoisothiazolidin2yl)phenyl)butanamide
110207531
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(11dioxo12thiazolidin2yl)phenyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(11dioxido12thiazolidin2yl)phenyl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc(cc2)N2CCCS2(=O)=O)NC(=O)C)cc(c1OC)OC
InChI=1SC34H40N4O8Sc121(39)3627148221930(442)33(453)34(464)32(22)25131528(29(40)2026(25)27)35165731(41)372391124(121023)381761847(3842)43h91315192027H58141618H214H3(H3540)(H3639)(H3741)t27m0s1
ZINC000253408610
ZINC253408610

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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