Vitas-M small molecule compound
6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)hexanamide
Catalog ID
STL548719
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)Nc1c(C)nn(c1C)C)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 C33H43N5O6 MW 605.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43N5O6/c1-19-31(20(2)38(4)37-19)36-29(41)11-9-8-10-16-34-26-15-13-23-24(18-27(26)40)25(35-21(3)39)14-12-22-17-28(42-5)32(43-6)33(44-7)30(22)23/h13,15,17-18,25H,8-12,14,16H2,1-7H3,(H,34,40)(H,35,39)(H,36,41)/t25-/m0/s1InChIKey
IXKYZRJHRHTQSD-VWLOTQADSA-NSynonyms
1574392-69-0(S)6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(135trimethyl1Hpyrazol4yl)hexanamide
1574392690
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(135trimethylpyrazol4yl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(135trimethyl1Hpyrazol4yl)hexanamide
75491379
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)Nc1c(C)nn(c1C)C)NC(=O)C
InChI=1SC33H43N5O6c11931(20(2)38(4)3719)3629(41)11981016342615132324(1827(26)40)25(3521(3)39)1412221728(425)32(436)33(447)30(22)23h1315171825H8121416H217H3(H3440)(H3539)(H3641)t25m0s1
ZINC000108448504
ZINC108448504
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.