Vitas-M small molecule compound
ethyl 6-{[(4-iodophenyl)amino]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK684364
SMILES CCOC(=O)C1=C(CNc2ccc(cc2)I)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 C20H19IN4O5 MW 522.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19IN4O5/c1-2-30-19(26)17-16(11-22-14-8-6-13(21)7-9-14)23-20(27)24-18(17)12-4-3-5-15(10-12)25(28)29/h3-10,18,22H,2,11H2,1H3,(H2,23,24,27)InChIKey
JJTDUVVTVOJAQS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CNc2ccc(cc2)I)NC(=O)NC1c1cccc(c1)(N+)(=O)(O)
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)(N+)(=O)(O))CNC3=CC=C(C=C3)I
ethyl6(((4iodophenyl)amino)methyl)4(3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL6((4IODOANILINO)METHYL)4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC20H19IN4O5c123019(26)1716(1122148613(21)7914)2320(27)2418(17)1243515(1012)25(28)29h3101822H211H21H3(H2232427)
MFCD05260513
ZINC000001425271
ZINC000001425272
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