Vitas-M small molecule compound
2-(methylsulfanyl)ethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK025405
SMILES CSCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(c(c1)[N+](=O)[O-])O
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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 C15H17N3O6S MW 367.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N3O6S/c1-8-12(14(20)24-5-6-25-2)13(17-15(21)16-8)9-3-4-11(19)10(7-9)18(22)23/h3-4,7,13,19H,5-6H2,1-2H3,(H2,16,17,21)InChIKey
MTZHBAGXNWIUHY-UHFFFAOYSA-NSynonyms
2(methylsulfanyl)ethyl4(4hydroxy3nitrophenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
2METHYLSULFANYLETHYL4(4HYDROXY3NITROPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2METHYLTHIOETHYL6(4HYDROXY3NITROPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)(N+)(=O)(O))C(=O)OCCSC
CSCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(c(c1)(N+)(=O)(O))O
InChI=1SC15H17N3O6Sc1812(14(20)2456252)13(1715(21)168)93411(19)10(79)18(22)23h3471319H56H212H3(H2161721)
MFCD01192431
STK025405
ZINC000035839530
ZINC000035839533
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