Vitas-M small molecule compound
3-[2-(4-benzylpiperazin-1-yl)-6-oxo-1,6-dihydropyrimidin-4-yl]-6,8,8,9-tetramethyl-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one
Catalog ID
STL508476
SMILES O=c1oc2cc3c(cc2cc1c1cc(=O)[nH]c(n1)N1CCN(CC1)Cc1ccccc1)C(C)CC(N3C)(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 C31H35N5O3 MW 525.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N5O3/c1-20-18-31(2,3)34(4)26-17-27-22(14-23(20)26)15-24(29(38)39-27)25-16-28(37)33-30(32-25)36-12-10-35(11-13-36)19-21-8-6-5-7-9-21/h5-9,14-17,20H,10-13,18-19H2,1-4H3,(H,32,33,37)InChIKey
NHONSWCJAZWHGA-UHFFFAOYSA-NSynonyms
135637883
3(2(4benzylpiperazin1yl)6oxo1~(H)pyrimidin4yl)6889tetramethyl67dihydropyrano(32g)quinolin2one
3(2(4benzylpiperazin1yl)6oxo16dihydropyrimidin4yl)6889tetramethyl6789tetrahydro2Hpyrano(32g)quinolin2one
InChI=1SC31H35N5O3c1201831(23)34(4)26172722(1423(20)26)1524(29(38)3927)251628(37)3330(3225)36121035(111336)19218657921h59141720H10131819H214H3(H323337)
MFCD31614838
ZINC000618256885
ZINC000618256886
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