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-leucinamide

Catalog ID
STL542499
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NC2CCCCCC2)CC(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)17-28(34(40)36-23-11-9-7-8-10-12-23)37-27-16-14-24-25(19-29(27)39)26(35-21(3)38)15-13-22-18-30(41-4)32(42-5)33(43-6)31(22)24/h14,16,18-20,23,26,28H,7-13,15,17H2,1-6H3,(H,35,38)(H,36,40)(H,37,39)/t26-,28-/m0/s1
InChIKey
RIHUYOCRZPNGPL-XCZPVHLTSA-N
Synonyms
1574397-93-5
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)cycloheptyl4methylpentanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Ncycloheptyl4methylpentanamide
1574397935
75491756
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NC2CCCCCC2)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC34H47N3O6c120(2)1728(34(40)362311978101223)372716142425(1929(27)39)26(3521(3)38)1513221830(414)32(425)33(436)31(22)24h14161820232628H7131517H216H3(H3538)(H3640)(H3739)t2628m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)NcycloheptylLleucinamide
ZINC000108449447
ZINC108449447

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Available files

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