Vitas-M small molecule compound
N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-L-methioninamide
Catalog ID
STL540444
SMILES CSCC[C@@H](C(=O)NCCC1=CCCCC1)Nc1ccc2c(cc1=O)[C@H](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 C34H45N3O6S MW 623.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H45N3O6S/c1-21(38)36-26-13-11-23-19-30(41-2)32(42-3)33(43-4)31(23)24-12-14-27(29(39)20-25(24)26)37-28(16-18-44-5)34(40)35-17-15-22-9-7-6-8-10-22/h9,12,14,19-20,26,28H,6-8,10-11,13,15-18H2,1-5H3,(H,35,40)(H,36,38)(H,37,39)/t26-,28-/m0/s1InChIKey
WCVIHPVOFWHFNO-XCZPVHLTSA-NSynonyms
1574355-35-3(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(cyclohexen1yl)ethyl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(cyclohex1en1yl)ethyl)4(methylthio)butanamide
1574355353
75491410
CSCC(C@@H)(C(=O)NCCC1=CCCCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H45N3O6Sc121(38)36261311231930(412)32(423)33(434)31(23)24121427(29(39)2025(24)26)3728(1618445)34(40)3517152297681022h9121419202628H681011131518H215H3(H3540)(H3638)(H3739)t2628m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(cyclohex1en1yl)ethyl)Lmethioninamide
ZINC000108448581
ZINC108448581
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.