Vitas-M small molecule compound

1'-butyl-3-(2,4-dimethylphenyl)-6-hydroxy-6'-nitro-2'-propyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione

Catalog ID
STK596279
SMILES CCCC1N(CCCC)c2ccc(cc2CC21C(=NC(=O)N(C2=O)c1ccc(cc1C)C)O)[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 C27H32N4O5 MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O5/c1-5-7-13-29-22-12-10-20(31(35)36)15-19(22)16-27(23(29)8-6-2)24(32)28-26(34)30(25(27)33)21-11-9-17(3)14-18(21)4/h9-12,14-15,23H,5-8,13,16H2,1-4H3,(H,28,32,34)
InChIKey
AEFDHDCVJCRGQK-UHFFFAOYSA-N
Synonyms
879459-02-6
879459026
CCCC1N(CCCC)c2ccc(cc2CC21C(=NC(=O)N(C2=O)c1ccc(cc1C)C)O)(N+)(=O)(O)
MFCD07208272
ZINC000009452813
ZINC000102779638

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Available files

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