Vitas-M small molecule compound
(4Z)-4-[2-(2-methoxy-5-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK062096
SMILES COc1ccc(cc1N/N=C\1/C(=NN(C1=O)C(=S)N)c1ccc(cc1)[N+](=O)[O-])[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 C17H13N7O6S MW 443.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N7O6S/c1-30-13-7-6-11(24(28)29)8-12(13)19-20-15-14(21-22(16(15)25)17(18)31)9-2-4-10(5-3-9)23(26)27/h2-8,19H,1H3,(H2,18,31)/b20-15-InChIKey
YILDYNVPHPZFQI-HKWRFOASSA-NSynonyms
(4Z)4((2METHOXY5NITROPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXOPYRAZOLE1CARBOTHIOAMIDE
(4Z)4(2(2METHOXY5NITROPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
COC1=C(C=C(C=C1)(N+)(=O)(O))NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)(N+)(=O)(O)
COc1ccc(cc1NN=C1C(=NN(C1=O)C(=S)N)c1ccc(cc1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H13N7O6Sc130137611(24(28)29)812(13)19201514(2122(16(15)25)17(18)31)92410(539)23(26)27h2819H1H3(H21831)b2015
MFCD01418908
STK062096
ZINC000002133289
ZINC100538346
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