Vitas-M small molecule compound

6-hydroxy-1'-methyl-6'-nitro-2'-phenyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinolin]-4-one

Catalog ID
STK610859
SMILES SC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N(C2c1ccccc1)C)[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 C19H16N4O4S MW 396.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O4S/c1-22-14-8-7-13(23(26)27)9-12(14)10-19(15(22)11-5-3-2-4-6-11)16(24)20-18(28)21-17(19)25/h2-9,15H,10H2,1H3,(H2,20,21,24,25,28)
InChIKey
MNDMEEBVJFUQSK-UHFFFAOYSA-N
Synonyms
895832-19-6
1methyl6nitro2phenyl2sulfanylidenespiro(13diazinane5324dihydroquinoline)46dione
6hydroxy1methyl6nitro2phenyl2sulfanyl14dihydro2H4Hspiro(pyrimidine53quinolin)4one
895832196
CN1C(C2(CC3=C1C=CC(=C3)(N+)(=O)(O))C(=O)NC(=S)NC2=O)C4=CC=CC=C4
InChI=1SC19H16N4O4Sc122148713(23(26)27)912(14)1019(15(22)115324611)16(24)2018(28)2117(19)25h2915H10H21H3(H22021242528)
MFCD08732348
SC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N(C2c1ccccc1)C)(N+)(=O)(O)
ZINC000008737915
ZINC000017056907

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Available files

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