Vitas-M small molecule compound
(4E)-3-methyl-4-[2-(4-methyl-3-nitrophenyl)hydrazinylidene]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK096146
SMILES NC(=S)N1N=C(/C(=N\Nc2ccc(c(c2)[N+](=O)[O-])C)/C1=O)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 C12H12N6O3S MW 320.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N6O3S/c1-6-3-4-8(5-9(6)18(20)21)14-15-10-7(2)16-17(11(10)19)12(13)22/h3-5,14H,1-2H3,(H2,13,22)/b15-10+InChIKey
AYCASPFFQCPCLY-XNTDXEJSSA-NSynonyms
(4E)3METHYL4((4METHYL3NITROPHENYL)HYDRAZINYLIDENE)5OXOPYRAZOLE1CARBOTHIOAMIDE
(4E)3METHYL4(2(4METHYL3NITROPHENYL)HYDRAZINYLIDENE)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
CC1=C(C=C(C=C1)NN=C2C(=NN(C2=O)C(=S)N)C)(N+)(=O)(O)
InChI=1SC12H12N6O3Sc16348(59(6)18(20)21)1415107(2)1617(11(10)19)12(13)22h3514H12H3(H21322)b1510+
MFCD01246805
NC(=S)N1N=C(C(=NNc2ccc(c(c2)(N+)(=O)(O))C)C1=O)C
STK096146
ZINC000018143297
ZINC8424351
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