Vitas-M small molecule compound
ethyl 2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-3-oxobutanoate
Catalog ID
STK580633
SMILES CCOC(=O)C(C(=O)C)Sc1nc(SC)nc2c1c1CC(C)(C)OCc1s2
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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 C18H22N2O4S3 MW 426.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O4S3/c1-6-23-16(22)13(9(2)21)27-15-12-10-7-18(3,4)24-8-11(10)26-14(12)19-17(20-15)25-5/h13H,6-8H2,1-5H3InChIKey
DQYSRQZLDZRNDJ-UHFFFAOYSA-NSynonyms
844858-38-4844858384
CCOC(=O)C(C(=O)C)SC1=NC(=NC2=C1C3=C(S2)COC(C3)(C)C)SC
ethyl2((66dimethyl2(methylsulfanyl)58dihydro6Hpyrano(4345)thieno(23d)pyrimidin4yl)sulfanyl)3oxobutanoate
ethyl2((66dimethyl2(methylthio)68dihydro5Hpyrano(4345)thieno(23d)pyrimidin4yl)thio)3oxobutanoate
ethyl2((66dimethyl2methylsulfanyl58dihydropyrano(23)thieno(24b)pyrimidin4yl)sulfanyl)3oxobutanoate
InChI=1SC18H22N2O4S3c162316(22)13(9(2)21)27151210718(34)24811(10)2614(12)1917(2015)255h13H68H215H3
MFCD04165122
ZINC000009487880
ZINC000009487881
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