Vitas-M small molecule compound
2-phenoxyethyl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK373405
SMILES O=C1NC(c2cccc(c2)[N+](=O)[O-])C(=C(N1C)C)C(=O)OCCOc1ccccc1
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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 C21H21N3O6 MW 411.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6/c1-14-18(20(25)30-12-11-29-17-9-4-3-5-10-17)19(22-21(26)23(14)2)15-7-6-8-16(13-15)24(27)28/h3-10,13,19H,11-12H2,1-2H3,(H,22,26)InChIKey
IAQFRHYCKUSBBT-UHFFFAOYSA-NSynonyms
2phenoxyethyl16dimethyl4(3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
2PHENOXYETHYL34DIMETHYL6(3NITROPHENYL)2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
2PHENOXYETHYL34DIMETHYL6(3NITROPHENYL)2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1C)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OCCOC3=CC=CC=C3
InChI=1SC21H21N3O6c11418(20(25)301211291794351017)19(2221(26)23(14)2)1576816(1315)24(27)28h3101319H1112H212H3(H2226)
MFCD00718143
O=C1NC(c2cccc(c2)(N+)(=O)(O))C(=C(N1C)C)C(=O)OCCOc1ccccc1
ZINC000002908710
ZINC000002908713
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