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-(1H-benzimidazol-6-yl)butanamide
Catalog ID
STL547021
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc3c(c2)[nH]cn3)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 C32H35N5O6 MW 585.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N5O6/c1-18(38)36-23-10-7-19-14-28(41-2)31(42-3)32(43-4)30(19)21-9-12-25(27(39)16-22(21)23)33-13-5-6-29(40)37-20-8-11-24-26(15-20)35-17-34-24/h8-9,11-12,14-17,23H,5-7,10,13H2,1-4H3,(H,33,39)(H,34,35)(H,36,38)(H,37,40)/t23-/m0/s1InChIKey
JVKROAWDXKQJKW-QHCPKHFHSA-NSynonyms
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1Hbenzo(d)imidazol6yl)butanamide
121541369
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3~(H)benzimidazol5yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1Hbenzimidazol6yl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc3c(c2)(nH)cn3)NC(=O)C)cc(c1OC)OC
InChI=1SC32H35N5O6c118(38)3623107191428(412)31(423)32(434)30(19)2191225(27(39)1622(21)23)33135629(40)37208112426(1520)35173424h891112141723H571013H214H3(H3339)(H3435)(H3638)(H3740)t23m0s1
ZINC000263585539
ZINC263585539
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.