Vitas-M small molecule compound
N-(3-chlorophenyl)-4-(2-methoxy-5-nitrophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Catalog ID
STL181524
SMILES COc1ccc(cc1C1NC(=S)NC(=C1C(=O)Nc1cccc(c1)Cl)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 C19H17ClN4O4S MW 432.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN4O4S/c1-10-16(18(25)22-12-5-3-4-11(20)8-12)17(23-19(29)21-10)14-9-13(24(26)27)6-7-15(14)28-2/h3-9,17H,1-2H3,(H,22,25)(H2,21,23,29)InChIKey
YAIHPPWNUIYDMH-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)(N+)(=O)(O))OC)C(=O)NC3=CC(=CC=C3)Cl
COc1ccc(cc1C1NC(=S)NC(=C1C(=O)Nc1cccc(c1)Cl)C)(N+)(=O)(O)
InChI=1SC19H17ClN4O4Sc11016(18(25)221253411(20)812)17(2319(29)2110)14913(24(26)27)6715(14)282h3917H12H3(H2225)(H2212329)
MFCD06195670
N(3chlorophenyl)4(2methoxy5nitrophenyl)6methyl2sulfanylidene34dihydro1Hpyrimidine5carboxamide
N(3chlorophenyl)4(2methoxy5nitrophenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxamide
ZINC000016606857
ZINC000016606860
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