Vitas-M small molecule compound
(4E)-4-{[(4-tert-butylphenyl)amino]methylidene}-5-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK933500
SMILES CC1=NN(C(=O)/C/1=C/Nc1ccc(cc1)C(C)(C)C)c1ccc2n(n1)cnn2
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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 C20H21N7O MW 375.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N7O/c1-13-16(11-21-15-7-5-14(6-8-15)20(2,3)4)19(28)27(24-13)18-10-9-17-23-22-12-26(17)25-18/h5-12,21H,1-4H3/b16-11+InChIKey
YEROWEAWYHDGRA-LFIBNONCSA-NSynonyms
(4E)4(((4tertbutylphenyl)amino)methylidene)5methyl2((124)triazolo(43b)pyridazin6yl)24dihydro3Hpyrazol3one
(4E)4((4tertbutylanilino)methylidene)5methyl2((124)triazolo(43b)pyridazin6yl)pyrazol3one
(E)1((124)triazolo(43b)pyridazin6yl)4(((4(tertbutyl)phenyl)amino)methylene)3methyl1Hpyrazol5(4H)one
CC1=NN(C(=O)C1=CNc1ccc(cc1)C(C)(C)C)c1ccc2n(n1)cnn2
CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)C(C)(C)C)C3=NN4C=NN=C4C=C3
InChI=1SC20H21N7Oc11316(1121157514(6815)20(23)4)19(28)27(2413)181091723221226(17)2518h51221H14H3b1611+
MFCD13760205
ZINC000101651233
ZINC101651233
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