Vitas-M small molecule compound
(4E)-5-methyl-4-[2-(2-methyl-5-nitrophenyl)hydrazinylidene]-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK000109
SMILES CC1=NN(C(=O)/C/1=N/Nc1cc(ccc1C)[N+](=O)[O-])c1scc(n1)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 C20H16N6O3S MW 420.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N6O3S/c1-12-8-9-15(26(28)29)10-16(12)22-23-18-13(2)24-25(19(18)27)20-21-17(11-30-20)14-6-4-3-5-7-14/h3-11,22H,1-2H3/b23-18+InChIKey
HFWQPOIVAGDDOD-PTGBLXJZSA-NSynonyms
(4E)5METHYL4((2METHYL5NITROPHENYL)HYDRAZINYLIDENE)2(4PHENYL13THIAZOL2YL)PYRAZOL3ONE
(4E)5METHYL4(2(2METHYL5NITROPHENYL)HYDRAZINYLIDENE)2(4PHENYL13THIAZOL2YL)24DIHYDRO3HPYRAZOL3ONE
CC1=C(C=C(C=C1)(N+)(=O)(O))NN=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C
CC1=NN(C(=O)C1=NNc1cc(ccc1C)(N+)(=O)(O))c1scc(n1)c1ccccc1
InChI=1SC20H16N6O3Sc1128915(26(28)29)1016(12)22231813(2)2425(19(18)27)202117(113020)146435714h31122H12H3b2318+
MFCD01027663
STK000109
ZINC000012285034
ZINC101371633
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