Vitas-M small molecule compound

1-(4-methoxyphenyl)-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
STK688608
SMILES COc1ccc(cc1)N1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N(C2C(C)C)CC(C)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 C26H30N4O6 MW 494.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O6/c1-15(2)14-28-21-11-8-19(30(34)35)12-17(21)13-26(22(28)16(3)4)23(31)27-25(33)29(24(26)32)18-6-9-20(36-5)10-7-18/h6-12,15-16,22H,13-14H2,1-5H3,(H,27,31,33)
InChIKey
RZBDQFIMCYYPGM-UHFFFAOYSA-N
Synonyms

1(4methoxyphenyl)1(2methylpropyl)6nitro2(propan2yl)14dihydro2H2Hspiro(pyrimidine53quinoline)246(1H3H)trione
1(4methoxyphenyl)1(2methylpropyl)6nitro2propan2ylspiro(13diazinane5324dihydroquinoline)246trione
CC(C)CN1C(C2(CC3=C1C=CC(=C3)(N+)(=O)(O))C(=O)NC(=O)N(C2=O)C4=CC=C(C=C4)OC)C(C)C
COc1ccc(cc1)N1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N(C2C(C)C)CC(C)C)(N+)(=O)(O)
InChI=1SC26H30N4O6c115(2)14282111819(30(34)35)1217(21)1326(22(28)16(3)4)23(31)2725(33)29(24(26)32)186920(365)10718h612151622H1314H215H3(H273133)
MFCD07657869
ZINC000012401450
ZINC000033821857

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Available files

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