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N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[3-(2-cyclopentylethyl)-1H-1,2,4-triazol-5-yl]methioninamide

Catalog ID
STL548276
SMILES CSCCC(C(=O)Nc1[nH]nc(n1)CCC1CCCC1)Nc1ccc2c(cc1=O)C(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 C35H46N6O6S MW 678.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H46N6O6S/c1-20(42)36-25-13-11-22-18-29(45-2)32(46-3)33(47-4)31(22)23-12-14-26(28(43)19-24(23)25)37-27(16-17-48-5)34(44)39-35-38-30(40-41-35)15-10-21-8-6-7-9-21/h12,14,18-19,21,25,27H,6-11,13,15-17H2,1-5H3,(H,36,42)(H,37,43)(H2,38,39,40,41,44)
InChIKey
APCHDXMNBDNJEN-UHFFFAOYSA-N
Synonyms

(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5(2cyclopentylethyl)1H124triazol3yl)4(methylthio)butanamide
122169471
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(2cyclopentylethyl)1~(H)124triazol3yl)4methylsulfanylbutanamide
CSCC(C@@H)(C(=O)Nc1n(nH)c(n1)CCC1CCCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC35H46N6O6Sc120(42)36251311221829(452)32(463)33(474)31(22)23121426(28(43)1924(23)25)3727(1617485)34(44)39353830(404135)151021867921h12141819212527H611131517H215H3(H3642)(H3743)(H23839404144)
MFCD31756723
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(2cyclopentylethyl)1H124triazol5yl)methioninamide
ZINC000253395805
ZINC000409413151

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Available files

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

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