Vitas-M small molecule compound
ethyl [(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]acetate
Catalog ID
STK532458
SMILES CCOC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CCC
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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 C21H25N3O3S2 MW 431.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O3S2/c1-5-7-14-13-9-27-21(3,4)8-12(13)16-17-18(29-19(16)24-14)20(23-11-22-17)28-10-15(25)26-6-2/h11H,5-10H2,1-4H3InChIKey
YMUXMSWUUKSPLC-UHFFFAOYSA-NSynonyms
CCCC1=C2COC(CC2=C3C4=C(C(=NC=N4)SCC(=O)OCC)SC3=N1)(C)C
ethyl((22dimethyl5propyl14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)sulfanyl)acetate
ethyl2((22dimethyl5propyl24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)thio)acetate
InChI=1SC21H25N3O3S2c157141392721(34)812(13)161718(2919(16)2414)20(23112217)281015(25)2662h11H510H214H3
ZINC000002298931
ZINC02298931
ZINC2298931
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