Vitas-M small molecule compound
4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}butanamide
Catalog ID
STL542525
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCCCC(=O)NCc1nc2c(n1C(C)C)cccc2
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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 C36H43N5O6 MW 641.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N5O6/c1-21(2)41-29-11-8-7-10-27(29)40-32(41)20-38-33(44)12-9-17-37-28-16-14-24-25(19-30(28)43)26(39-22(3)42)15-13-23-18-31(45-4)35(46-5)36(47-6)34(23)24/h7-8,10-11,14,16,18-19,21,26H,9,12-13,15,17,20H2,1-6H3,(H,37,43)(H,38,44)(H,39,42)/t26-InChIKey
PLMUCOKJBUSFNL-SANMLTNESA-NSynonyms
1574361-16-2(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1isopropyl1Hbenzo(d)imidazol2yl)methyl)butanamide
1574361162
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1propan2ylbenzimidazol2yl)methyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1(propan2yl)1Hbenzimidazol2yl)methyl)butanamide
75492556
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCCCC(=O)NCc1nc2c(n1C(C)C)cccc2
InChI=1SC36H43N5O6c121(2)412911871027(29)4032(41)203833(44)12917372816142425(1930(28)43)26(3922(3)42)1513231831(454)35(465)36(476)34(23)24h781011141618192126H91213151720H216H3(H3743)(H3844)(H3942)t26m0s1
ZINC000108451479
ZINC108451479
Check stock
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Check stock on Vitas-MAvailable files
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