Vitas-M small molecule compound
2-(methylsulfanyl)ethyl 6-methyl-4-(4-methyl-3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK023577
SMILES CSCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(c(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 C16H19N3O5S MW 365.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O5S/c1-9-4-5-11(8-12(9)19(22)23)14-13(10(2)17-16(21)18-14)15(20)24-6-7-25-3/h4-5,8,14H,6-7H2,1-3H3,(H2,17,18,21)InChIKey
MVSYBBNZRMSFDA-UHFFFAOYSA-NSynonyms
2(methylsulfanyl)ethyl6methyl4(4methyl3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
2METHYLSULFANYLETHYL6METHYL4(4METHYL3NITROPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
CC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCCSC)(N+)(=O)(O)
CSCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC16H19N3O5Sc194511(812(9)19(22)23)1413(10(2)1716(21)1814)15(20)2467253h45814H67H213H3(H2171821)
MFCD03370895
STK023577
ZINC000004144255
ZINC000004144257
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