Vitas-M small molecule compound
2-(benzylsulfanyl)-4-(4-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Catalog ID
STL303712
SMILES N#Cc1c(=O)[nH]c(nc1c1ccc(cc1)[N+](=O)[O-])SCc1ccccc1
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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 C18H12N4O3S MW 364.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O3S/c19-10-15-16(13-6-8-14(9-7-13)22(24)25)20-18(21-17(15)23)26-11-12-4-2-1-3-5-12/h1-9H,11H2,(H,20,21,23)InChIKey
ATFNMPJJDAVFOK-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)4(4nitrophenyl)6oxo16dihydropyrimidine5carbonitrile
2benzylsulfanyl6(4nitrophenyl)4oxo1Hpyrimidine5carbonitrile
C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)(N+)(=O)(O))C#N
InChI=1SC18H12N4O3Sc19101516(136814(9713)22(24)25)2018(2117(15)23)2611124213512h19H11H2(H202123)
MFCD28033387
N#Cc1c(=O)(nH)c(nc1c1ccc(cc1)(N+)(=O)(O))SCc1ccccc1
ZINC000095471976
ZINC95471976
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