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-cycloheptyl-L-valinamide

Catalog ID
STL540051
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NC2CCCCCC2)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 C33H45N3O6 MW 579.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45N3O6/c1-19(2)30(33(39)35-22-11-9-7-8-10-12-22)36-26-16-14-23-24(18-27(26)38)25(34-20(3)37)15-13-21-17-28(40-4)31(41-5)32(42-6)29(21)23/h14,16-19,22,25,30H,7-13,15H2,1-6H3,(H,34,37)(H,35,39)(H,36,38)/t25-,30-/m0/s1
InChIKey
RFRAUDQSHRMFMX-QCDSWUKFSA-N
Synonyms
1574291-03-4
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)cycloheptyl3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Ncycloheptyl3methylbutanamide
1574291034
75491502
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NC2CCCCCC2)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC33H45N3O6c119(2)30(33(39)352211978101222)362616142324(1827(26)38)25(3420(3)37)1513211728(404)31(415)32(426)29(21)23h141619222530H71315H216H3(H3437)(H3539)(H3638)t2530m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)NcycloheptylLvalinamide
ZINC000108448787
ZINC108448787

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Available files

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