Vitas-M small molecule compound
3-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-7-nitro-4-phenylquinolin-2(1H)-one
Catalog ID
STK247001
SMILES Cc1nc(nc(c1)O)Sc1c(=O)[nH]c2c(c1c1ccccc1)ccc(c2)[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 C20H14N4O4S MW 406.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N4O4S/c1-11-9-16(25)23-20(21-11)29-18-17(12-5-3-2-4-6-12)14-8-7-13(24(27)28)10-15(14)22-19(18)26/h2-10H,1H3,(H,22,26)(H,21,23,25)InChIKey
WRPQPMXLQQQBBG-UHFFFAOYSA-NSynonyms
3((4HYDROXY6METHYLPYRIMIDIN2YL)SULFANYL)7NITRO4PHENYLQUINOLIN2(1H)ONE
3((6methyl4oxo1Hpyrimidin2yl)sulfanyl)7nitro4phenyl1Hquinolin2one
CC1=CC(=O)N=C(N1)SC2=C(C3=C(C=C(C=C3)(N+)(=O)(O))NC2=O)C4=CC=CC=C4
Cc1nc(nc(c1)O)Sc1c(=O)(nH)c2c(c1c1ccccc1)ccc(c2)(N+)(=O)(O)
InChI=1SC20H14N4O4Sc111916(25)2320(2111)291817(125324612)148713(24(27)28)1015(14)2219(18)26h210H1H3(H2226)(H212325)
MFCD08675668
ZINC000013844220
ZINC13844220
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