Vitas-M small molecule compound
methyl 2-{[2,2-dimethyl-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}butanoate
Catalog ID
STL233361
SMILES CCC(C(=O)OC)Sc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1
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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 C23H28N4O3S2 MW 472.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O3S2/c1-5-15(22(28)29-4)31-21-18-17(24-12-25-21)16-13-10-23(2,3)30-11-14(13)19(26-20(16)32-18)27-8-6-7-9-27/h12,15H,5-11H2,1-4H3InChIKey
LGVFJTKNASNQGX-UHFFFAOYSA-NSynonyms
847246-26-8847246268
CCC(C(=O)OC)SC1=NC=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)N5CCCC5
InChI=1SC23H28N4O3S2c1515(22(28)294)31211817(24122521)16131023(23)301114(13)19(2620(16)3218)27867927h1215H511H214H3
methyl2((22dimethyl5(pyrrolidin1yl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)sulfanyl)butanoate
methyl2((22dimethyl5(pyrrolidin1yl)24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)thio)butanoate
MFCD03674192
ZINC000020392822
ZINC000020392824
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