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-{3-[(1-methyl-1H-imidazol-2-yl)carbonyl]phenyl}hexanamide
Catalog ID
STL547045
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)Nc1cccc(c1)C(=O)c1nccn1C)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 C38H43N5O7 MW 681.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H43N5O7/c1-23(44)41-29-15-13-24-21-32(48-3)36(49-4)37(50-5)34(24)27-14-16-30(31(45)22-28(27)29)39-17-8-6-7-12-33(46)42-26-11-9-10-25(20-26)35(47)38-40-18-19-43(38)2/h9-11,14,16,18-22,29H,6-8,12-13,15,17H2,1-5H3,(H,39,45)(H,41,44)(H,42,46)/t29-InChIKey
UPCYPYNFCVOUEC-LJAQVGFWSA-NSynonyms
(S)6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(1methyl1Himidazole2carbonyl)phenyl)hexanamide
110207563
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(1methylimidazole2carbonyl)phenyl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3((1methyl1Himidazol2yl)carbonyl)phenyl)hexanamide
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)Nc1cccc(c1)C(=O)c1nccn1C)NC(=O)C
InChI=1SC38H43N5O7c123(44)41291513242132(483)36(494)37(505)34(24)27141630(31(45)2228(27)29)39178671233(46)42261191025(2026)35(47)3840181943(38)2h9111416182229H6812131517H215H3(H3945)(H4144)(H4246)t29m0s1
ZINC000253413363
ZINC253413363
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.