Vitas-M small molecule compound
1-(4-bromophenyl)-3-{(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}urea
Catalog ID
STK287719
SMILES O=C(Nc1ccc(cc1)Br)N/C=C\1/C(=NN(C1=O)c1ccc(cc1)C)C
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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 C19H17BrN4O2 MW 413.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN4O2/c1-12-3-9-16(10-4-12)24-18(25)17(13(2)23-24)11-21-19(26)22-15-7-5-14(20)6-8-15/h3-11H,1-2H3,(H2,21,22,26)/b17-11-InChIKey
IRWIODHOXWFVJA-BOPFTXTBSA-NSynonyms
1(4bromophenyl)3((Z)(3methyl1(4methylphenyl)5oxo15dihydro4Hpyrazol4ylidene)methyl)urea
1(4bromophenyl)3((Z)(3methyl1(4methylphenyl)5oxopyrazol4ylidene)methyl)urea
CC1=CC=C(C=C1)N2C(=O)C(=CNC(=O)NC3=CC=C(C=C3)Br)C(=N2)C
InChI=1SC19H17BrN4O2c1123916(10412)2418(25)17(13(2)2324)112119(26)22157514(20)6815h311H12H3(H2212226)b1711
MFCD09271037
O=C(Nc1ccc(cc1)Br)NC=C1C(=NN(C1=O)c1ccc(cc1)C)C
ZINC000102516081
ZINC102516081
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