Vitas-M small molecule compound
(4E)-4-{[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL294898
SMILES CCOc1ccc2c(c1)sc(n2)N/C=C/1\C(=NN(C1=O)c1ccc(cc1)C)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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-4-27-16-9-10-18-19(11-16)28-21(23-18)22-12-17-14(3)24-25(20(17)26)15-7-5-13(2)6-8-15/h5-12H,4H2,1-3H3,(H,22,23)/b17-12+InChIKey
MKWVCRKYSMZILD-SFQUDFHCSA-NSynonyms
(4E)4(((6ethoxy13benzothiazol2yl)amino)methylidene)5methyl2(4methylphenyl)24dihydro3Hpyrazol3one
(4E)4(((6ETHOXY13BENZOTHIAZOL2YL)AMINO)METHYLIDENE)5METHYL2(4METHYLPHENYL)PYRAZOL3ONE
CCOC1=CC2=C(C=C1)N=C(S2)NC=C3C(=NN(C3=O)C4=CC=C(C=C4)C)C
CCOc1ccc2c(c1)sc(n2)NC=C1C(=NN(C1=O)c1ccc(cc1)C)C
InChI=1SC21H20N4O2Sc1427169101819(1116)2821(2318)22121714(3)2425(20(17)26)157513(2)6815h512H4H213H3(H2223)b1712+
MFCD28032816
ZINC000101125335
ZINC101125335
ZINC18189749
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