Vitas-M small molecule compound
N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methioninamide
Catalog ID
STL551116
SMILES CSCCC(C(=O)Nc1n[nH]c(n1)COc1ccccc1)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 C35H40N6O7S MW 688.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N6O7S/c1-20(42)36-25-13-11-21-17-29(45-2)32(46-3)33(47-4)31(21)23-12-14-26(28(43)18-24(23)25)37-27(15-16-49-5)34(44)39-35-38-30(40-41-35)19-48-22-9-7-6-8-10-22/h6-10,12,14,17-18,25,27H,11,13,15-16,19H2,1-5H3,(H,36,42)(H,37,43)(H2,38,39,40,4InChIKey
YQOZRWJTZRFDGW-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)N(3(phenoxymethyl)1H124triazol5yl)butanamide
132285995
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(5(phenoxymethyl)1~(H)124triazol3yl)butanamide
CSCC(C@@H)(C(=O)Nc1(nH)nc(n1)COc1ccccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC35H40N6O7Sc120(42)36251311211729(452)32(463)33(474)31(21)23121426(28(43)1824(23)25)3727(1516495)34(44)39353830(404135)19482297681022h610121417182527H1113151619H215H3(H3642)(H3743)(H23839404144)
MFCD31757957
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(5(phenoxymethyl)1H124triazol3yl)methioninamide
ZINC000604405306
ZINC000888089384
Check stock
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Check stock on Vitas-MAvailable files
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