Vitas-M small molecule compound
(4Z)-4-[2-(naphthalen-2-yl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK014572
SMILES NC(=S)N1N=C(/C(=N/Nc2ccc3c(c2)cccc3)/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 C20H14N6O3S MW 418.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N6O3S/c21-20(30)25-19(27)18(17(24-25)13-6-9-16(10-7-13)26(28)29)23-22-15-8-5-12-3-1-2-4-14(12)11-15/h1-11,22H,(H2,21,30)/b23-18-InChIKey
MLBZFQQLDJJRGQ-NKFKGCMQSA-NSynonyms
(4Z)4(2(NAPHTHALEN2YL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
(4Z)4(NAPHTHALEN2YLHYDRAZINYLIDENE)3(4NITROPHENYL)5OXOPYRAZOLE1CARBOTHIOAMIDE
C1=CC=C2C=C(C=CC2=C1)NN=C3C(=NN(C3=O)C(=S)N)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H14N6O3Sc2120(30)2519(27)18(17(2425)136916(10713)26(28)29)2322158512312414(12)1115h11122H(H22130)b2318
MFCD01418657
NC(=S)N1N=C(C(=NNc2ccc3c(c2)cccc3)C1=O)c1ccc(cc1)(N+)(=O)(O)
STK014572
ZINC000013940081
ZINC100530612
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