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-methyl-1H-benzimidazol-5-yl)butanamide
Catalog ID
STL540625
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc3c(c2)ncn3C)NC(=O)C)cc(c1OC)OC
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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 C33H37N5O6 MW 599.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37N5O6/c1-19(39)36-24-11-8-20-15-29(42-3)32(43-4)33(44-5)31(20)22-10-12-25(28(40)17-23(22)24)34-14-6-7-30(41)37-21-9-13-27-26(16-21)35-18-38(27)2/h9-10,12-13,15-18,24H,6-8,11,14H2,1-5H3,(H,34,40)(H,36,39)(H,37,41)/t24-/m0/s1InChIKey
PUFHBUTXWHIOBY-DEOSSOPVSA-NSynonyms
1574345-72-4(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1methyl1Hbenzo(d)imidazol5yl)butanamide
1574345724
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1methylbenzimidazol5yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1methyl1Hbenzimidazol5yl)butanamide
75492429
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc3c(c2)ncn3C)NC(=O)C)cc(c1OC)OC
InChI=1SC33H37N5O6c119(39)3624118201529(423)32(434)33(445)31(20)22101225(28(40)1723(22)24)34146730(41)37219132726(1621)351838(27)2h9101213151824H681114H215H3(H3440)(H3639)(H3741)t24m0s1
ZINC000108451155
ZINC108451155
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.