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

Catalog ID
STL541491
SMILES CSCC[C@@H](C(=O)N1CCSCC1)Nc1ccc2c(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 C30H39N3O6S2 MW 601.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O6S2/c1-18(34)31-22-8-6-19-16-26(37-2)28(38-3)29(39-4)27(19)20-7-9-23(25(35)17-21(20)22)32-24(10-13-40-5)30(36)33-11-14-41-15-12-33/h7,9,16-17,22,24H,6,8,10-15H2,1-5H3,(H,31,34)(H,32,35)/t22-,24-/m0/s1
InChIKey
GPNPCZDZKYKQES-UPVQGACJSA-N
Synonyms
1574392-07-6
~(N)((7~(S))123trimethoxy10(((2~(S))4methylsulfanyl1oxo1thiomorpholin4ylbutan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574392076
75491967
CSCC(C@@H)(C(=O)N1CCSCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC30H39N3O6S2c118(34)312286191626(372)28(383)29(394)27(19)207923(25(35)1721(20)22)3224(1013405)30(36)33111441151233h7916172224H681015H215H3(H3134)(H3235)t2224m0s1
N((7S)123trimethoxy10(((2S)4(methylsulfanyl)1oxo1(thiomorpholin4yl)butan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((S)4(methylthio)1oxo1thiomorpholinobutan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000108449953
ZINC108449953

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Available files

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

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