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-(furan-2-yl)-1H-1,2,4-triazol-3-yl]methioninamide
Catalog ID
STL550781
SMILES CSCCC(C(=O)Nc1n[nH]c(n1)c1ccco1)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 C32H36N6O7S MW 648.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N6O7S/c1-17(39)33-21-10-8-18-15-26(42-2)28(43-3)29(44-4)27(18)19-9-11-22(24(40)16-20(19)21)34-23(12-14-46-5)31(41)36-32-35-30(37-38-32)25-7-6-13-45-25/h6-7,9,11,13,15-16,21,23H,8,10,12,14H2,1-5H3,(H,33,39)(H,34,40)(H2,35,36,37,38,41)InChIKey
UWKPWZBRSGYGJD-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(furan2yl)1H124triazol5yl)4(methylthio)butanamide
132286318
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(furan2yl)1~(H)124triazol3yl)4methylsulfanylbutanamide
CSCC(C@@H)(C(=O)Nc1(nH)nc(n1)c1ccco1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC32H36N6O7Sc117(39)3321108181526(422)28(433)29(444)27(18)1991122(24(40)1620(19)21)3423(1214465)31(41)36323530(373832)2576134525h679111315162123H8101214H215H3(H3339)(H3440)(H23536373841)
MFCD31757772
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(5(furan2yl)1H124triazol3yl)methioninamide
ZINC000604405050
ZINC000888089996
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.