Vitas-M small molecule compound
ethyl 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}propanoate
Catalog ID
STL232479
SMILES CCOC(=O)C(Sc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1)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 C23H28N4O3S2 MW 472.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O3S2/c1-5-29-22(28)13(2)31-21-18-17(24-12-25-21)16-14-10-23(3,4)30-11-15(14)19(26-20(16)32-18)27-8-6-7-9-27/h12-13H,5-11H2,1-4H3InChIKey
KPDFNFIOQDPQFK-UHFFFAOYSA-NSynonyms
799782-06-2799782062
CCOC(=O)C(C)SC1=NC=NC2=C1SC3=NC(=C4COC(CC4=C23)(C)C)N5CCCC5
ethyl2((22dimethyl5(pyrrolidin1yl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)sulfanyl)propanoate
ethyl2((22dimethyl5(pyrrolidin1yl)24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)thio)propanoate
InChI=1SC23H28N4O3S2c152922(28)13(2)31211817(24122521)16141023(34)301115(14)19(2620(16)3218)27867927h1213H511H214H3
MFCD03674331
ZINC000020171205
ZINC000020171206
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