Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopropylamino)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL438705
SMILES Cc1ccc(cc1)SCC1=NN(C(=O)/C/1=C/NC1CC1)c1nc2c(s1)cccc2
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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 C22H20N4OS2 MW 420.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4OS2/c1-14-6-10-16(11-7-14)28-13-19-17(12-23-15-8-9-15)21(27)26(25-19)22-24-18-4-2-3-5-20(18)29-22/h2-7,10-12,15,23H,8-9,13H2,1H3/b17-12+InChIKey
GITACTWWQOWBIT-SFQUDFHCSA-NSynonyms
(4E)2(13benzothiazol2yl)4((cyclopropylamino)methylidene)5(((4methylphenyl)sulfanyl)methyl)24dihydro3Hpyrazol3one
(4E)2(13benzothiazol2yl)4((cyclopropylamino)methylidene)5((4methylphenyl)sulfanylmethyl)pyrazol3one
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CNC3CC3)C4=NC5=CC=CC=C5S4
Cc1ccc(cc1)SCC1=NN(C(=O)C1=CNC1CC1)c1nc2c(s1)cccc2
InChI=1SC22H20N4OS2c11461016(11714)28131917(1223158915)21(27)26(2519)222418423520(18)2922h2710121523H8913H21H3b1712+
MFCD06240671
ZINC000100143860
ZINC100143860
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