Vitas-M small molecule compound
ethyl 5-methyl-3-[2-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK943450
SMILES CCOC(=O)c1sc2c(c1C)c(=O)n(cn2)CC(=O)c1ccc2c(c1)N(C)C(=O)CO2
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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 C21H19N3O6S MW 441.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O6S/c1-4-29-21(28)18-11(2)17-19(31-18)22-10-24(20(17)27)8-14(25)12-5-6-15-13(7-12)23(3)16(26)9-30-15/h5-7,10H,4,8-9H2,1-3H3InChIKey
BWIHKUJBHAGSEC-UHFFFAOYSA-NSynonyms
881252-76-2881252762
CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4C)C
ethyl5methyl3(2(4methyl3oxo14benzoxazin6yl)2oxoethyl)4oxothieno(23d)pyrimidine6carboxylate
ethyl5methyl3(2(4methyl3oxo34dihydro2H14benzoxazin6yl)2oxoethyl)4oxo34dihydrothieno(23d)pyrimidine6carboxylate
ethyl5methyl3(2(4methyl3oxo34dihydro2Hbenzo(b)(14)oxazin6yl)2oxoethyl)4oxo34dihydrothieno(23d)pyrimidine6carboxylate
InChI=1SC21H19N3O6Sc142921(28)1811(2)1719(3118)221024(20(17)27)814(25)12561513(712)23(3)16(26)93015h5710H489H213H3
MFCD07754055
ZINC000009043931
ZINC09043931
ZINC9043931
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