Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{[(4-methoxybenzyl)amino]methylidene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL446107
SMILES COc1ccc(cc1)CN/C=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)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 C25H20N4O2S MW 440.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O2S/c1-31-19-13-11-17(12-14-19)15-26-16-20-23(18-7-3-2-4-8-18)28-29(24(20)30)25-27-21-9-5-6-10-22(21)32-25/h2-14,16,26H,15H2,1H3/b20-16-InChIKey
UFLRSWNSNFHZEB-SILNSSARSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(((4methoxybenzyl)amino)methylidene)5phenyl24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4(((4METHOXYPHENYL)METHYLAMINO)METHYLIDENE)5PHENYLPYRAZOL3ONE
COC1=CC=C(C=C1)CNC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5
COc1ccc(cc1)CNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1
InChI=1SC25H20N4O2Sc13119131117(121419)1526162023(187324818)2829(24(20)30)2527219561022(21)3225h2141626H15H21H3b2016
MFCD01826878
ZINC000100558455
ZINC100558455
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