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-cyclooctyl-L-valinamide

Catalog ID
STL542032
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NC2CCCCCCC2)C(C)C)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 C34H47N3O6 MW 593.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H47N3O6/c1-20(2)31(34(40)36-23-12-10-8-7-9-11-13-23)37-27-17-15-24-25(19-28(27)39)26(35-21(3)38)16-14-22-18-29(41-4)32(42-5)33(43-6)30(22)24/h15,17-20,23,26,31H,7-14,16H2,1-6H3,(H,35,38)(H,36,40)(H,37,39)/t26-,31-/m0/s1
InChIKey
VIVYHKQJACRKJC-HVNZXBJASA-N
Synonyms
1574350-71-2
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)cyclooctyl3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Ncyclooctyl3methylbutanamide
1574350712
75492382
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NC2CCCCCCC2)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC34H47N3O6c120(2)31(34(40)36231210879111323)372717152425(1928(27)39)26(3521(3)38)1614221829(414)32(425)33(436)30(22)24h151720232631H71416H216H3(H3538)(H3640)(H3739)t2631m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)NcyclooctylLvalinamide
ZINC000108450989
ZINC108450989

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Available files

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