Vitas-M small molecule compound
ethyl 6-[(cyclohexylamino)methyl]-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK684117
SMILES CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)NC1c1cccc(c1)[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 C20H26N4O5 MW 402.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O5/c1-2-29-19(25)17-16(12-21-14-8-4-3-5-9-14)22-20(26)23-18(17)13-7-6-10-15(11-13)24(27)28/h6-7,10-11,14,18,21H,2-5,8-9,12H2,1H3,(H2,22,23,26)InChIKey
GFCZIBIAPBZACK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)NC1c1cccc(c1)(N+)(=O)(O)
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)(N+)(=O)(O))CNC3CCCCC3
ethyl6((cyclohexylamino)methyl)4(3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL6((CYCLOHEXYLAMINO)METHYL)4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC20H26N4O5c122919(25)1716(1221148435914)2220(26)2318(17)13761015(1113)24(27)28h671011141821H258912H21H3(H2222326)
MFCD05259661
ZINC000004624192
ZINC000004690024
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