Vitas-M small molecule compound
1'-butyl-1,3-dimethyl-6'-nitro-2'-propyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
Catalog ID
STK724692
SMILES CCCCN1c2ccc(cc2CC2(C1CCC)C(=O)N(C)C(=O)N(C2=O)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 C21H28N4O5 MW 416.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O5/c1-5-7-11-24-16-10-9-15(25(29)30)12-14(16)13-21(17(24)8-6-2)18(26)22(3)20(28)23(4)19(21)27/h9-10,12,17H,5-8,11,13H2,1-4H3InChIKey
VQCSKHHKZHQIRB-UHFFFAOYSA-NSynonyms
896845-59-31butyl13dimethyl6nitro2propyl14dihydro2H2Hspiro(pyrimidine53quinoline)246(1H3H)trione
1butyl13dimethyl6nitro2propyl24dihydro1H1Hspiro(pyrimidine53quinoline)246(3H)trione
1butyl13dimethyl6nitro2propylspiro(13diazinane5324dihydroquinoline)246trione
896845593
CCCCN1C(C2(CC3=C1C=CC(=C3)(N+)(=O)(O))C(=O)N(C(=O)N(C2=O)C)C)CCC
CCCCN1c2ccc(cc2CC2(C1CCC)C(=O)N(C)C(=O)N(C2=O)C)(N+)(=O)(O)
InChI=1SC21H28N4O5c15711241610915(25(29)30)1214(16)1321(17(24)862)18(26)22(3)20(28)23(4)19(21)27h9101217H581113H214H3
MFCD06601785
ZINC000005370493
ZINC000005370495
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