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-valinamide
Catalog ID
STL539996
SMILES COc1ccc(cc1)CNC(=O)[C@H](C(C)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 C34H41N3O7 MW 603.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41N3O7/c1-19(2)31(34(40)35-18-21-8-11-23(41-4)12-9-21)37-27-15-13-24-25(17-28(27)39)26(36-20(3)38)14-10-22-16-29(42-5)32(43-6)33(44-7)30(22)24/h8-9,11-13,15-17,19,26,31H,10,14,18H2,1-7H3,(H,35,40)(H,36,38)(H,37,39)/t26-,31-/m0/s1InChIKey
DGFPMQGJNKIBAD-HVNZXBJASA-NSynonyms
1574381-11-5(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((4methoxyphenyl)methyl)3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4methoxybenzyl)3methylbutanamide
1574381115
75491253
COc1ccc(cc1)CNC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H41N3O7c119(2)31(34(40)35182181123(414)12921)372715132425(1728(27)39)26(3620(3)38)1410221629(425)32(436)33(447)30(22)24h8911131517192631H101418H217H3(H3540)(H3638)(H3739)t2631m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4methoxybenzyl)Lvalinamide
ZINC000108448112
ZINC108448112
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.