Vitas-M small molecule compound
1'-[2-(3,4-dimethoxyphenyl)ethyl]-2'-hydroxy-1,2,3,4,5,5a-hexahydro-4'H,7H,8H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[1,2-a]azepine-6,5'-pyrimidine]-4',6',8(1'H)-trione
Catalog ID
STK587298
SMILES COc1ccc(cc1OC)CCN1C(=NC(=O)C2(C1=O)Cc1c(N3C2CCCCC3)nc2n(c1=O)cccc2)O
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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 C29H31N5O6 MW 545.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O6/c1-39-20-11-10-18(16-21(20)40-2)12-15-34-27(37)29(26(36)31-28(34)38)17-19-24(32-13-6-3-4-8-22(29)32)30-23-9-5-7-14-33(23)25(19)35/h5,7,9-11,14,16,22H,3-4,6,8,12-13,15,17H2,1-2H3,(H,31,36,38)InChIKey
YCKBZAOVMBGQBD-UHFFFAOYSA-NSynonyms
879466-55-41(2(34dimethoxyphenyl)ethyl)2hydroxy123455ahexahydro4H7H8Hspiro(pyrido(1212)pyrimido(5456)pyrido(12a)azepine65pyrimidine)468(1H)trione
879466554
MFCD07205914
ZINC000002226826
ZINC000230005807
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