Vitas-M small molecule compound
methyl [1-(4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoyl)piperidin-4-yl]acetate
Catalog ID
STL546090
SMILES COC(=O)CC1CCN(CC1)C(=O)CCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)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 C33H43N3O8 MW 609.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43N3O8/c1-20(37)35-25-10-8-22-18-28(41-2)32(43-4)33(44-5)31(22)23-9-11-26(27(38)19-24(23)25)34-14-6-7-29(39)36-15-12-21(13-16-36)17-30(40)42-3/h9,11,18-19,21,25H,6-8,10,12-17H2,1-5H3,(H,34,38)(H,35,37)/t25-/m0/s1InChIKey
HHVOSSUQOOIBSU-VWLOTQADSA-NSynonyms
1574390-93-4(S)methyl2(1(4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)piperidin4yl)acetate
1574390934
75492404
COC(=O)CC1CCN(CC1)C(=O)CCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC33H43N3O8c120(37)3525108221828(412)32(434)33(445)31(22)2391126(27(38)1924(23)25)34146729(39)36151221(131636)1730(40)423h91118192125H68101217H215H3(H3438)(H3537)t25m0s1
methyl(1(4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)piperidin4yl)acetate
methyl2(1(4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoyl)piperidin4yl)acetate
ZINC000108451077
ZINC108451077
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.