Vitas-M small molecule compound
N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(4-methoxybenzyl)-L-isoleucinamide
Catalog ID
STL542097
SMILES COc1ccc(cc1)CNC(=O)[C@H]([C@@H](CC)C)Nc1ccc2c(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 C35H43N3O7 MW 617.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H43N3O7/c1-8-20(2)32(35(41)36-19-22-9-12-24(42-4)13-10-22)38-28-16-14-25-26(18-29(28)40)27(37-21(3)39)15-11-23-17-30(43-5)33(44-6)34(45-7)31(23)25/h9-10,12-14,16-18,20,27,32H,8,11,15,19H2,1-7H3,(H,36,41)(H,37,39)(H,38,40)/t20-,27+,32+/m1/s1InChIKey
LQTDZXNGSARBJG-MLEOTOBYSA-NSynonyms
1574354-89-4(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((4methoxyphenyl)methyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4methoxybenzyl)3methylpentanamide
1574354894
75492095
COc1ccc(cc1)CNC(=O)(C@H)((C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC35H43N3O7c1820(2)32(35(41)36192291224(424)131022)382816142526(1829(28)40)27(3721(3)39)1511231730(435)33(446)34(457)31(23)25h91012141618202732H8111519H217H3(H3641)(H3739)(H3840)t2027+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4methoxybenzyl)Lisoleucinamide
ZINC000108450261
ZINC108450261
Check stock
See real-time availability and sample size for STL542097 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.