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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(thiomorpholin-4-ylsulfonyl)ethyl]-L-methioninamide

Catalog ID
STL547900
SMILES CSCC[C@@H](C(=O)NCCS(=O)(=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 C32H44N4O8S3 MW 708.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H44N4O8S3/c1-20(37)34-24-8-6-21-18-28(42-2)30(43-3)31(44-4)29(21)22-7-9-25(27(38)19-23(22)24)35-26(10-14-45-5)32(39)33-11-17-47(40,41)36-12-15-46-16-13-36/h7,9,18-19,24,26H,6,8,10-17H2,1-5H3,(H,33,39)(H,34,37)(H,35,38)/t24-,26-/m0/s1
InChIKey
NPGSYUIQPSITNX-AHWVRZQESA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(2thiomorpholin4ylsulfonylethyl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)N(2(thiomorpholinosulfonyl)ethyl)butanamide
121541835
CSCC(C@@H)(C(=O)NCCS(=O)(=O)N1CCSCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC32H44N4O8S3c120(37)342486211828(422)30(433)31(444)29(21)227925(27(38)1923(22)24)3526(1014455)32(39)33111747(4041)36121546161336h7918192426H681017H215H3(H3339)(H3437)(H3538)t2426m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(thiomorpholin4ylsulfonyl)ethyl)Lmethioninamide
ZINC000263585893
ZINC263585893

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Available files

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