Vitas-M small molecule compound

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

Catalog ID
STK613304
SMILES CCN1c2ccc(cc2CC2(C1C)C(=O)N=C(N(C2=O)C1CC1)S)[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 C18H20N4O4S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O4S/c1-3-20-10(2)18(9-11-8-13(22(25)26)6-7-14(11)20)15(23)19-17(27)21(16(18)24)12-4-5-12/h6-8,10,12H,3-5,9H2,1-2H3,(H,19,23,27)
InChIKey
LEUKMXMWEIKGJC-UHFFFAOYSA-N
Synonyms
903206-36-0
903206360
CCN1c2ccc(cc2CC2(C1C)C(=O)N=C(N(C2=O)C1CC1)S)(N+)(=O)(O)
MFCD08729503
ZINC000008997258
ZINC000245255817

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.