Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK019498
SMILES CCSCCOC(=O)C1=C(C)N(C(=O)NC1c1cccc(c1)[N+](=O)[O-])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 C17H21N3O5S MW 379.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O5S/c1-4-26-9-8-25-16(21)14-11(2)19(3)17(22)18-15(14)12-6-5-7-13(10-12)20(23)24/h5-7,10,15H,4,8-9H2,1-3H3,(H,18,22)InChIKey
QQZRAIBGAPSQBE-UHFFFAOYSA-NSynonyms
303137-07-72(ethylsulfanyl)ethyl16dimethyl4(3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
2ETHYLSULFANYLETHYL34DIMETHYL6(3NITROPHENYL)2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
303137077
CCSCCOC(=O)C1=C(C)N(C(=O)NC1c1cccc(c1)(N+)(=O)(O))C
CCSCCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)(N+)(=O)(O))C)C
InChI=1SC17H21N3O5Sc1426982516(21)1411(2)19(3)17(22)1815(14)1265713(1012)20(23)24h571015H489H213H3(H1822)
MFCD01122130
STK019498
ZINC000002092056
ZINC000002092058
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