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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-(1-methyl-1H-pyrazol-4-yl)-L-methioninamide

Catalog ID
STL541508
SMILES CSCC[C@@H](C(=O)Nc1cnn(c1)C)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 C30H37N5O6S MW 595.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37N5O6S/c1-17(36)32-22-9-7-18-13-26(39-3)28(40-4)29(41-5)27(18)20-8-10-23(25(37)14-21(20)22)34-24(11-12-42-6)30(38)33-19-15-31-35(2)16-19/h8,10,13-16,22,24H,7,9,11-12H2,1-6H3,(H,32,36)(H,33,38)(H,34,37)/t22-,24-/m0/s1
InChIKey
FZPKHDKKRDWDOV-UPVQGACJSA-N
Synonyms
1574344-33-4
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1methylpyrazol4yl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1methyl1Hpyrazol4yl)4(methylthio)butanamide
1574344334
75491862
CSCC(C@@H)(C(=O)Nc1cnn(c1)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC30H37N5O6Sc117(36)322297181326(393)28(404)29(415)27(18)2081023(25(37)1421(20)22)3424(1112426)30(38)3319153135(2)1619h81013162224H791112H216H3(H3236)(H3338)(H3437)t2224m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1methyl1Hpyrazol4yl)Lmethioninamide
ZINC000108449723
ZINC108449723

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Available files

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

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