Vitas-M small molecule compound
ethyl {[7-tert-butyl-3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK531413
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1C)CCC(C3)C(C)(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 C25H30N2O3S2 MW 470.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O3S2/c1-6-30-20(28)14-31-24-26-22-21(23(29)27(24)18-10-8-7-9-15(18)2)17-12-11-16(25(3,4)5)13-19(17)32-22/h7-10,16H,6,11-14H2,1-5H3InChIKey
QRCGAWHFUZEHSY-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1C4=CC=CC=C4C
ethyl((7tertbutyl3(2methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((7(tertbutyl)4oxo3(otolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
ethyl2((7tertbutyl3(2methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
InChI=1SC25H30N2O3S2c163020(28)143124262221(23(29)27(24)181087915(18)2)17121116(25(34)5)1319(17)3222h71016H61114H215H3
MFCD02992513
ZINC000001832557
ZINC000001832558
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