Vitas-M small molecule compound
(4Z)-4-{[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene}-5-methyl-2-(3-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL358629
SMILES CCOc1ccc2c(c1)sc(n2)N/C=C\1/C(=NN(C1=O)c1cccc(c1)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/c1-4-27-16-8-9-18-19(11-16)28-21(23-18)22-12-17-14(3)24-25(20(17)26)15-7-5-6-13(2)10-15/h5-12H,4H2,1-3H3,(H,22,23)/b17-12-InChIKey
ZREMJQKEXRWPSO-ATVHPVEESA-NSynonyms
(4Z)4(((6ethoxy13benzothiazol2yl)amino)methylidene)5methyl2(3methylphenyl)24dihydro3Hpyrazol3one
(4Z)4(((6ethoxy13benzothiazol2yl)amino)methylidene)5methyl2(3methylphenyl)pyrazol3one
CCOc1ccc2c(c1)sc(n2)NC=C1C(=NN(C1=O)c1cccc(c1)C)C
InChI=1SC21H20N4O2Sc142716891819(1116)2821(2318)22121714(3)2425(20(17)26)1575613(2)1015h512H4H213H3(H2223)b1712
MFCD28033622
ZINC000101346851
ZINC101346851
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