Vitas-M small molecule compound
1-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-(4-nitrophenyl)thiourea
Catalog ID
STK458431
SMILES S=C(Nc1c(C)nn(c1C)Cc1c(F)cccc1Cl)Nc1ccc(cc1)[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 C19H17ClFN5O2S MW 433.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClFN5O2S/c1-11-18(23-19(29)22-13-6-8-14(9-7-13)26(27)28)12(2)25(24-11)10-15-16(20)4-3-5-17(15)21/h3-9H,10H2,1-2H3,(H2,22,23,29)InChIKey
ZEZBZPJSXHKAJZ-UHFFFAOYSA-NSynonyms
((1((6CHLORO2FLUOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)AMINO)((4NITROPHENYL)AMINO)METHANE1THIONE
1(1((2CHLORO6FLUOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)3(4NITROPHENYL)THIOUREA
1(1(2chloro6fluorobenzyl)35dimethyl1Hpyrazol4yl)3(4nitrophenyl)thiourea
CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=S)NC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC19H17ClFN5O2Sc11118(2319(29)22136814(9713)26(27)28)12(2)25(2411)101516(20)43517(15)21h39H10H212H3(H2222329)
MFCD05065940
S=C(Nc1c(C)nn(c1C)Cc1c(F)cccc1Cl)Nc1ccc(cc1)(N+)(=O)(O)
ZINC000016346381
ZINC16346381
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