Vitas-M small molecule compound
(4Z)-4-[2-(4-methoxy-2-nitrophenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK002978
SMILES COc1ccc(c(c1)[N+](=O)[O-])N/N=C\1/C(=NN(C1=O)C(=S)N)c1ccccc1
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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/c1-27-11-7-8-12(13(9-11)23(25)26)19-20-15-14(10-5-3-2-4-6-10)21-22(16(15)24)17(18)28/h2-9,19H,1H3,(H2,18,28)/b20-15-InChIKey
ZHTBJFSFQIUJEZ-HKWRFOASSA-NSynonyms
(4Z)4((4METHOXY2NITROPHENYL)HYDRAZINYLIDENE)5OXO3PHENYLPYRAZOLE1CARBOTHIOAMIDE
(4Z)4(2(4METHOXY2NITROPHENYL)HYDRAZINYLIDENE)5OXO3PHENYL45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
COC1=CC(=C(C=C1)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=CC=C3)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NN=C1C(=NN(C1=O)C(=S)N)c1ccccc1
InChI=1SC17H14N6O4Sc127117812(13(911)23(25)26)19201514(105324610)2122(16(15)24)17(18)28h2919H1H3(H21828)b2015
MFCD01418621
STK002978
ZINC000012285148
ZINC100512785
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