Vitas-M small molecule compound
(4E)-5-methyl-4-[2-(4-methylphenyl)hydrazinylidene]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK066946
SMILES Cc1ccc(cc1)N/N=C/1\C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[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 C20H16N6O3S MW 420.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N6O3S/c1-12-6-8-15(9-7-12)22-23-18-13(2)24-25(19(18)27)20-21-17(11-30-20)14-4-3-5-16(10-14)26(28)29/h3-11,22H,1-2H3/b23-18+InChIKey
DRFMQIKIVKXKDK-PTGBLXJZSA-NSynonyms
(4E)5METHYL4((4METHYLPHENYL)HYDRAZINYLIDENE)2(4(3NITROPHENYL)13THIAZOL2YL)PYRAZOL3ONE
(4E)5METHYL4(2(4METHYLPHENYL)HYDRAZINYLIDENE)2(4(3NITROPHENYL)13THIAZOL2YL)24DIHYDRO3HPYRAZOL3ONE
CC1=CC=C(C=C1)NN=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC(=CC=C4)(N+)(=O)(O))C
Cc1ccc(cc1)NN=C1C(=NN(C1=O)c1scc(n1)c1cccc(c1)(N+)(=O)(O))C
InChI=1SC20H16N6O3Sc1126815(9712)22231813(2)2425(19(18)27)202117(113020)1443516(1014)26(28)29h31122H12H3b2318+
MFCD02025947
STK066946
ZINC000013897959
ZINC100149692
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