Vitas-M small molecule compound
1,3-dimethyl-1'-(2-methylpropyl)-6'-nitro-2'-(propan-2-yl)-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
Catalog ID
STK585999
SMILES CC(CN1c2ccc(cc2CC2(C1C(C)C)C(=O)N(C)C(=O)N(C2=O)C)[N+](=O)[O-])C
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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/c1-12(2)11-24-16-8-7-15(25(29)30)9-14(16)10-21(17(24)13(3)4)18(26)22(5)20(28)23(6)19(21)27/h7-9,12-13,17H,10-11H2,1-6H3InChIKey
UBBXOUXRXMMPQF-UHFFFAOYSA-NSynonyms
879578-95-713dimethyl1(2methylpropyl)6nitro2(propan2yl)14dihydro2H2Hspiro(pyrimidine53quinoline)246(1H3H)trione
13dimethyl1(2methylpropyl)6nitro2propan2ylspiro(13diazinane5324dihydroquinoline)246trione
1isobutyl2isopropyl13dimethyl6nitro24dihydro1H1Hspiro(pyrimidine53quinoline)246(3H)trione
879578957
CC(C)CN1C(C2(CC3=C1C=CC(=C3)(N+)(=O)(O))C(=O)N(C(=O)N(C2=O)C)C)C(C)C
CC(CN1c2ccc(cc2CC2(C1C(C)C)C(=O)N(C)C(=O)N(C2=O)C)(N+)(=O)(O))C
InChI=1SC21H28N4O5c112(2)1124168715(25(29)30)914(16)1021(17(24)13(3)4)18(26)22(5)20(28)23(6)19(21)27h79121317H1011H216H3
MFCD07639457
ZINC000005426732
ZINC000005426740
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