Vitas-M small molecule compound

2-[5-(2-nitrophenyl)furan-2-yl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Catalog ID
STL021045
SMILES N#CC1=C(S)N(C(NC1=O)c1ccc(o1)c1ccccc1[N+](=O)[O-])c1ccccc1

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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 C21H14N4O4S MW 418.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N4O4S/c22-12-15-20(26)23-19(24(21(15)30)13-6-2-1-3-7-13)18-11-10-17(29-18)14-8-4-5-9-16(14)25(27)28/h1-11,19,30H,(H,23,26)
InChIKey
SMAMRNHGUQACOI-UHFFFAOYSA-N
Synonyms
489400-08-0
2(5(2NITROPHENYL)(2FURYL))6OXO3PHENYL4SULFANYL123TRIHYDROPYRIMIDINE5CARBONITRILE
2(5(2nitrophenyl)furan2yl)4oxo1phenyl6sulfanyl1234tetrahydropyrimidine5carbonitrile
2(5(2NITROPHENYL)FURAN2YL)6OXO3PHENYL4SULFANYL12DIHYDROPYRIMIDINE5CARBONITRILE
489400080
6mercapto2(5(2nitrophenyl)furan2yl)4oxo1phenyl1234tetrahydropyrimidine5carbonitrile
C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=CC=CC=C4(N+)(=O)(O)
InChI=1SC21H14N4O4Sc22121520(26)2319(24(21(15)30)136213713)18111017(2918)14845916(14)25(27)28h1111930H(H2326)
MFCD03295822
N#CC1=C(S)N(C(NC1=O)c1ccc(o1)c1ccccc1(N+)(=O)(O))c1ccccc1
ZINC000002248444
ZINC000002248445

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Available files

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