Vitas-M small molecule compound

ethyl 4-amino-2-{[1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyrimidine-5-carboxylate

Catalog ID
STK130966
SMILES CCOC(=O)c1cnc(nc1N)SC1CC(=O)N(C1=O)c1ccc(cc1)[N+](=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 C17H15N5O6S MW 417.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5O6S/c1-2-28-16(25)11-8-19-17(20-14(11)18)29-12-7-13(23)21(15(12)24)9-3-5-10(6-4-9)22(26)27/h3-6,8,12H,2,7H2,1H3,(H2,18,19,20)
InChIKey
UQVOHZOBTQFHCK-UHFFFAOYSA-N
Synonyms
511514-79-7
511514797
CCOC(=O)C1=CN=C(N=C1N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1cnc(nc1N)SC1CC(=O)N(C1=O)c1ccc(cc1)(N+)(=O)(O)
ETHYL4AMINO2((1(4NITROPHENYL)25DIOXOPYRROLIDIN3YL)SULFANYL)PYRIMIDINE5CARBOXYLATE
ethyl4amino2((1(4nitrophenyl)25dioxopyrrolidin3yl)thio)pyrimidine5carboxylate
ETHYL4AMINO2(1(4NITROPHENYL)25DIOXOAZOLIDIN3YLTHIO)PYRIMIDINE5CARBOXYLATE
ETHYL4AMINO2(1(4NITROPHENYL)25DIOXOPYRROLIDIN3YL)SULFANYLPYRIMIDINE5CARBOXYLATE
InChI=1SC17H15N5O6Sc122816(25)1181917(2014(11)18)2912713(23)21(15(12)24)93510(649)22(26)27h36812H27H21H3(H2181920)
MFCD03490299
ZINC000018180135
ZINC000100118979

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Available files

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