Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-[(butylamino)methylidene]-5-(4-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK070953
SMILES CCCCN/C=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccc(cc1)OC
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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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-3-4-13-23-14-17-20(15-9-11-16(28-2)12-10-15)25-26(21(17)27)22-24-18-7-5-6-8-19(18)29-22/h5-12,14,23H,3-4,13H2,1-2H3/b17-14-InChIKey
YEXVZOAGOCDRPP-VKAVYKQESA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)4((BUTYLAMINO)METHYLIDENE)5(4METHOXYPHENYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13benzothiazol2yl)4(butylaminomethylidene)5(4methoxyphenyl)pyrazol3one
CCCCNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccc(cc1)OC
CCCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC
InChI=1SC22H22N4O2Sc1341323141720(1591116(282)121015)2526(21(17)27)222418756819(18)2922h5121423H3413H212H3b1714
MFCD08051964
STK070953
ZINC000004599556
ZINC04599556
ZINC4599556
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