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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-3-yl)-L-methioninamide

Catalog ID
STL542547
SMILES CSCC[C@@H](C(=O)Nc1ccn(n1)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)31-21-9-7-18-15-25(39-3)28(40-4)29(41-5)27(18)19-8-10-22(24(37)16-20(19)21)32-23(12-14-42-6)30(38)33-26-11-13-35(2)34-26/h8,10-11,13,15-16,21,23H,7,9,12,14H2,1-6H3,(H,31,36)(H,32,37)(H,33,34,38)/t21-,23-/m0/s1
InChIKey
YVWWKKLSCMFTFY-GMAHTHKFSA-N
Synonyms
1574338-29-6
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1methylpyrazol3yl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1methyl1Hpyrazol3yl)4(methylthio)butanamide
1574338296
75491170
CSCC(C@@H)(C(=O)Nc1ccn(n1)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC30H37N5O6Sc117(36)312197181525(393)28(404)29(415)27(18)1981022(24(37)1620(19)21)3223(1214426)30(38)3326111335(2)3426h810111315162123H791214H216H3(H3136)(H3237)(H333438)t2123m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1methyl1Hpyrazol3yl)Lmethioninamide
ZINC000108447896
ZINC108447896

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Available files

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

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