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-(4H-1,2,4-triazol-3-yl)phenyl]methioninamide
Catalog ID
STL542431
SMILES CSCCC(C(=O)Nc1cccc(c1)c1nnc[nH]1)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 C34H38N6O6S MW 658.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N6O6S/c1-19(41)37-25-11-9-20-16-29(44-2)31(45-3)32(46-4)30(20)23-10-12-26(28(42)17-24(23)25)39-27(13-14-47-5)34(43)38-22-8-6-7-21(15-22)33-35-18-36-40-33/h6-8,10,12,15-18,25,27H,9,11,13-14H2,1-5H3,(H,37,41)(H,38,43)(H,39,42)(H,35,36,40)InChIKey
VIPWAIAALUSFOK-UHFFFAOYSA-NSynonyms
(S)N(3(1H124triazol3yl)phenyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamide
135639632
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(3(1~(H)124triazol5yl)phenyl)butanamide
CSCC(C@@H)(C(=O)Nc1cccc(c1)c1n(nH)cn1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H38N6O6Sc119(41)3725119201629(442)31(453)32(464)30(20)23101226(28(42)1724(23)25)3927(1314475)34(43)382286721(1522)333518364033h68101215182527H9111314H215H3(H3741)(H3843)(H3942)(H353640)
MFCD31755618
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(4H124triazol3yl)phenyl)methioninamide
ZINC000150653712
ZINC001772492646
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.