Vitas-M small molecule compound
1'-butyl-6-hydroxy-6'-nitro-3-(propan-2-yl)-2'-propyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Catalog ID
STK582682
SMILES CCCCN1c2ccc(cc2CC2(C1CCC)C(=NC(=O)N(C2=O)C(C)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 C22H30N4O5 MW 430.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O5/c1-5-7-11-24-17-10-9-16(26(30)31)12-15(17)13-22(18(24)8-6-2)19(27)23-21(29)25(14(3)4)20(22)28/h9-10,12,14,18H,5-8,11,13H2,1-4H3,(H,23,27,29)InChIKey
ICQQHMIHKDXIRX-UHFFFAOYSA-NSynonyms
896674-59-21butyl6hydroxy6nitro3(propan2yl)2propyl14dihydro2H2Hspiro(pyrimidine53quinoline)24(3H)dione
1butyl6nitro1propan2yl2propylspiro(13diazinane5324dihydroquinoline)246trione
896674592
CCCCN1C(C2(CC3=C1C=CC(=C3)(N+)(=O)(O))C(=O)NC(=O)N(C2=O)C(C)C)CCC
CCCCN1c2ccc(cc2CC2(C1CCC)C(=NC(=O)N(C2=O)C(C)C)O)(N+)(=O)(O)
InChI=1SC22H30N4O5c15711241710916(26(30)31)1215(17)1322(18(24)862)19(27)2321(29)25(14(3)4)20(22)28h910121418H581113H214H3(H232729)
MFCD07198185
ZINC000009266796
ZINC000245325943
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