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-[2-(2-methylpropyl)-1H-benzimidazol-6-yl]methioninamide
Catalog ID
STL548089
SMILES CSCCC(C(=O)Nc1ccc2c(c1)[nH]c(n2)CC(C)C)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 C37H45N5O6S MW 687.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H45N5O6S/c1-20(2)16-33-41-27-12-9-23(18-30(27)42-33)39-37(45)29(14-15-49-7)40-28-13-10-24-25(19-31(28)44)26(38-21(3)43)11-8-22-17-32(46-4)35(47-5)36(48-6)34(22)24/h9-10,12-13,17-20,26,29H,8,11,14-16H2,1-7H3,(H,38,43)(H,39,45)(H,40,44)(H,41,42)InChIKey
VETIXJCJHRMEPI-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2isobutyl1Hbenzo(d)imidazol5yl)4(methylthio)butanamide
122169469
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(2methylpropyl)3~(H)benzimidazol5yl)4methylsulfanylbutanamide
CSCC(C@@H)(C(=O)Nc1ccc2c(c1)nc((nH)2)CC(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H45N5O6Sc120(2)1633412712923(1830(27)4233)3937(45)29(1415497)402813102425(1931(28)44)26(3821(3)43)118221732(464)35(475)36(486)34(22)24h910121317202629H8111416H217H3(H3843)(H3945)(H4044)(H4142)
MFCD31756686
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(2methylpropyl)1Hbenzimidazol6yl)methioninamide
ZINC000253413599
ZINC000409413875
Check stock
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Check stock on Vitas-MAvailable files
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