Vitas-M small molecule compound
(4E)-4-[2-(2-methoxyphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK033288
SMILES COc1ccccc1N/N=C/1\C(=NN(C1=O)C(=S)N)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 C17H14N6O4S MW 398.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N6O4S/c1-27-13-5-3-2-4-12(13)19-20-15-14(21-22(16(15)24)17(18)28)10-6-8-11(9-7-10)23(25)26/h2-9,19H,1H3,(H2,18,28)/b20-15+InChIKey
IBMDQCRDJCSQNY-HMMYKYKNSA-NSynonyms
(4E)4((2METHOXYPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXOPYRAZOLE1CARBOTHIOAMIDE
(4E)4(2(2METHOXYPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
1(AMINOTHIOXOMETHYL)4(((2METHOXYPHENYL)AMINO)AZAMETHYLENE)3(4NITROPHENYL)12DIAZOLIN5ONE
COC1=CC=CC=C1NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)(N+)(=O)(O)
COc1ccccc1NN=C1C(=NN(C1=O)C(=S)N)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC17H14N6O4Sc12713532412(13)19201514(2122(16(15)24)17(18)28)106811(9710)23(25)26h2919H1H3(H21828)b2015+
MFCD01008349
STK033288
ZINC000018322440
ZINC101418055
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