Vitas-M small molecule compound
(4Z)-4-[2-(3-chloro-2-methylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK062595
SMILES NC(=S)N1N=C(/C(=N/Nc2cccc(c2C)Cl)/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 C17H13ClN6O3S MW 416.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN6O3S/c1-9-12(18)3-2-4-13(9)20-21-15-14(22-23(16(15)25)17(19)28)10-5-7-11(8-6-10)24(26)27/h2-8,20H,1H3,(H2,19,28)/b21-15-InChIKey
UXLLMSLLWHVWCA-QNGOZBTKSA-NSynonyms
(4Z)4((3chloro2methylphenyl)hydrazinylidene)3(4nitrophenyl)5oxopyrazole1carbothioamide
(4Z)4(2(3CHLORO2METHYLPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
CC1=C(C=CC=C1Cl)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC17H13ClN6O3Sc1912(18)32413(9)20211514(2223(16(15)25)17(19)28)105711(8610)24(26)27h2820H1H3(H21928)b2115
MFCD01418631
NC(=S)N1N=C(C(=NNc2cccc(c2C)Cl)C1=O)c1ccc(cc1)(N+)(=O)(O)
STK062595
ZINC000001958905
ZINC01958905
ZINC100507724
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