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-(2,4-dimethoxyphenyl)-L-valinamide

Catalog ID
STL541154
SMILES COc1ccc(c(c1)OC)NC(=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 C34H41N3O8 MW 619.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41N3O8/c1-18(2)31(34(40)37-26-13-10-21(41-4)16-28(26)42-5)36-25-14-11-22-23(17-27(25)39)24(35-19(3)38)12-9-20-15-29(43-6)32(44-7)33(45-8)30(20)22/h10-11,13-18,24,31H,9,12H2,1-8H3,(H,35,38)(H,36,39)(H,37,40)/t24-,31-/m0/s1
InChIKey
YRLJJVQXUILOLF-DLLPINGYSA-N
Synonyms
1574354-63-4
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(24dimethoxyphenyl)3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(24dimethoxyphenyl)3methylbutanamide
1574354634
75491924
COc1ccc(c(c1)OC)NC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H41N3O8c118(2)31(34(40)3726131021(414)1628(26)425)362514112223(1727(25)39)24(3519(3)38)129201529(436)32(447)33(458)30(20)22h101113182431H912H218H3(H3538)(H3639)(H3740)t2431m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(24dimethoxyphenyl)Lvalinamide
ZINC000108449857
ZINC108449857

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.