Vitas-M small molecule compound
1'-butyl-3-(2-chlorophenyl)-6-hydroxy-6'-nitro-2'-propyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Catalog ID
STK598221
SMILES CCCCN1c2ccc(cc2CC2(C1CCC)C(=NC(=O)N(C2=O)c1ccccc1Cl)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 C25H27ClN4O5 MW 498.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN4O5/c1-3-5-13-28-19-12-11-17(30(34)35)14-16(19)15-25(21(28)8-4-2)22(31)27-24(33)29(23(25)32)20-10-7-6-9-18(20)26/h6-7,9-12,14,21H,3-5,8,13,15H2,1-2H3,(H,27,31,33)InChIKey
SGWKIXWUNBOLGB-UHFFFAOYSA-NSynonyms
896675-04-0896675040
CCCCN1c2ccc(cc2CC2(C1CCC)C(=NC(=O)N(C2=O)c1ccccc1Cl)O)(N+)(=O)(O)
MFCD07198578
ZINC000009446743
ZINC000245328144
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