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-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
Catalog ID
STL540415
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)Nc1ccc(cc1)Cn1ncnc1)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 C36H42N6O6 MW 654.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42N6O6/c1-23(43)40-29-15-11-25-18-32(46-2)35(47-3)36(48-4)34(25)27-14-16-30(31(44)19-28(27)29)38-17-7-5-6-8-33(45)41-26-12-9-24(10-13-26)20-42-22-37-21-39-42/h9-10,12-14,16,18-19,21-22,29H,5-8,11,15,17,20H2,1-4H3,(H,38,44)(H,40,43)(H,41,45)/tInChIKey
MVZKJJPSXDKDTP-LJAQVGFWSA-NSynonyms
1630926-78-1(S)N(4((1H124triazol1yl)methyl)phenyl)6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanamide
1630926781
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(124triazol1ylmethyl)phenyl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(1H124triazol1ylmethyl)phenyl)hexanamide
91638193
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)Nc1ccc(cc1)Cn1ncnc1)NC(=O)C
InChI=1SC36H42N6O6c123(43)40291511251832(462)35(473)36(484)34(25)27141630(31(44)1928(27)29)3817756833(45)412612924(101326)20422237213942h9101214161819212229H5811151720H214H3(H3844)(H4043)(H4145)t29m0s1
ZINC000217860503
ZINC217860503
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.