Vitas-M small molecule compound
(4E)-4-[2-(2-chlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK006265
SMILES NC(=S)N1N=C(/C(=N\Nc2ccccc2Cl)/C1=O)c1ccc(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 C16H11ClN6O3S MW 402.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN6O3S/c17-11-3-1-2-4-12(11)19-20-14-13(21-22(15(14)24)16(18)27)9-5-7-10(8-6-9)23(25)26/h1-8,19H,(H2,18,27)/b20-14+InChIKey
MDXNCSNPPGEQGN-XSFVSMFZSA-NSynonyms
(4E)4((2CHLOROPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXOPYRAZOLE1CARBOTHIOAMIDE
(4E)4(2(2CHLOROPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
1(AMINOTHIOXOMETHYL)4(((2CHLOROPHENYL)AMINO)AZAMETHYLENE)3(4NITROPHENYL)12DIAZOLIN5ONE
C1=CC=C(C(=C1)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)(N+)(=O)(O))Cl
InChI=1SC16H11ClN6O3Sc1711312412(11)19201413(2122(15(14)24)16(18)27)95710(869)23(25)26h1819H(H21827)b2014+
MFCD01008351
NC(=S)N1N=C(C(=NNc2ccccc2Cl)C1=O)c1ccc(cc1)(N+)(=O)(O)
STK006265
ZINC000001958900
ZINC100423265
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