Vitas-M small molecule compound

1-cyclopropyl-1'-methyl-6'-nitro-2-thioxo-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H,3H)-dione

Catalog ID
STK236369
SMILES S=C1NC(=O)C2(C(=O)N1C1CC1)CN(C)c1c(C2)cc(cc1)[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 C16H16N4O4S MW 360.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O4S/c1-18-8-16(7-9-6-11(20(23)24)4-5-12(9)18)13(21)17-15(25)19(14(16)22)10-2-3-10/h4-6,10H,2-3,7-8H2,1H3,(H,17,21,25)
InChIKey
UGKWOOJVLXCALE-UHFFFAOYSA-N
Synonyms
892673-01-7
1cyclopropyl1methyl6nitro2sulfanylidenespiro(13diazinane5324dihydroquinoline)46dione
1cyclopropyl1methyl6nitro2thioxo14dihydro2H2Hspiro(pyrimidine53quinoline)46(1H3H)dione
1cyclopropyl1methyl6nitro2thioxo2234tetrahydro1H1Hspiro(pyrimidine53quinoline)46dione
892673017
CN1CC2(CC3=C1C=CC(=C3)(N+)(=O)(O))C(=O)NC(=S)N(C2=O)C4CC4
InChI=1SC16H16N4O4Sc118816(79611(20(23)24)4512(9)18)13(21)1715(25)19(14(16)22)102310h4610H2378H21H3(H172125)
MFCD08291211
S=C1NC(=O)C2(C(=O)N1C1CC1)CN(C)c1c(C2)cc(cc1)(N+)(=O)(O)

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Available files

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