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-isoleucinamide

Catalog ID
STL540068
SMILES CC[C@H]([C@@H](C(=O)NC1CCCCCCC1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C35H49N3O6 MW 607.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H49N3O6/c1-7-21(2)32(35(41)37-24-13-11-9-8-10-12-14-24)38-28-18-16-25-26(20-29(28)40)27(36-22(3)39)17-15-23-19-30(42-4)33(43-5)34(44-6)31(23)25/h16,18-21,24,27,32H,7-15,17H2,1-6H3,(H,36,39)(H,37,41)(H,38,40)/t21-,27+,32+/m1/s1
InChIKey
BHEUBMCDLJHBJU-BBQOZMKKSA-N
Synonyms
1574354-13-4
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)cyclooctyl3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Ncyclooctyl3methylpentanamide
1574354134
75491710
CC(C@H)((C@@H)(C(=O)NC1CCCCCCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H49N3O6c1721(2)32(35(41)372413119810121424)382818162526(2029(28)40)27(3622(3)39)1715231930(424)33(435)34(446)31(23)25h161821242732H71517H216H3(H3639)(H3741)(H3840)t2127+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)NcyclooctylLisoleucinamide
ZINC000108449303
ZINC108449303

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Available files

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