Vitas-M small molecule compound
2-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-4-oxo-1-phenyl-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Catalog ID
STL021206
SMILES N#CC1=C(S)N(C(NC1=O)c1ccc(o1)c1ccc(cc1[N+](=O)[O-])C)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 C22H16N4O4S MW 432.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O4S/c1-13-7-8-15(17(11-13)26(28)29)18-9-10-19(30-18)20-24-21(27)16(12-23)22(31)25(20)14-5-3-2-4-6-14/h2-11,20,31H,1H3,(H,24,27)InChIKey
OHFZORWKYVOIDG-UHFFFAOYSA-NSynonyms
488101-79-72(5(4METHYL2NITROPHENYL)(2FURYL))6OXO3PHENYL4SULFANYL123TRIHYDROPYRIMIDINE5CARBONITRILE
2(5(4methyl2nitrophenyl)furan2yl)4oxo1phenyl6sulfanyl1234tetrahydropyrimidine5carbonitrile
2(5(4METHYL2NITROPHENYL)FURAN2YL)6OXO3PHENYL4SULFANYL12DIHYDROPYRIMIDINE5CARBONITRILE
488101797
6mercapto2(5(4methyl2nitrophenyl)furan2yl)4oxo1phenyl1234tetrahydropyrimidine5carbonitrile
CC1=CC(=C(C=C1)C2=CC=C(O2)C3NC(=O)C(=C(N3C4=CC=CC=C4)S)C#N)(N+)(=O)(O)
InChI=1SC22H16N4O4Sc1137815(17(1113)26(28)29)1891019(3018)202421(27)16(1223)22(31)25(20)145324614h2112031H1H3(H2427)
MFCD03288607
N#CC1=C(S)N(C(NC1=O)c1ccc(o1)c1ccc(cc1(N+)(=O)(O))C)c1ccccc1
ZINC000002327395
ZINC000002327397
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