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-{3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl}methioninamide
Catalog ID
STL546454
SMILES CSCCC(C(=O)Nc1cccc(c1)c1n[nH]c(n1)COC)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 C36H42N6O7S MW 702.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42N6O7S/c1-20(43)37-26-12-10-21-17-30(47-3)33(48-4)34(49-5)32(21)24-11-13-27(29(44)18-25(24)26)39-28(14-15-50-6)36(45)38-23-9-7-8-22(16-23)35-40-31(19-46-2)41-42-35/h7-9,11,13,16-18,26,28H,10,12,14-15,19H2,1-6H3,(H,37,43)(H,38,45)(H,39,44)(H,InChIKey
IKYAQZWDAFKFEZ-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(3(methoxymethyl)1H124triazol5yl)phenyl)4(methylthio)butanamide
122169470
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(5(methoxymethyl)1~(H)124triazol3yl)phenyl)4methylsulfanylbutanamide
CSCC(C@@H)(C(=O)Nc1cccc(c1)c1(nH)nc(n1)COC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H42N6O7Sc120(43)37261210211730(473)33(484)34(495)32(21)24111327(29(44)1825(24)26)3928(1415506)36(45)382397822(1623)354031(19462)414235h79111316182628H1012141519H216H3(H3743)(H3845)(H3944)(H404142)
MFCD31756408
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(5(methoxymethyl)1H124triazol3yl)phenyl)methioninamide
ZINC000263585427
ZINC000409413282
Check stock
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Check stock on Vitas-MAvailable files
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