Vitas-M small molecule compound

(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(4-methoxybenzyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK976908
SMILES CCCC1=NN(C(=O)/C/1=C/NCc1ccc(cc1)OC)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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-3-6-18-17(14-23-13-15-9-11-16(28-2)12-10-15)21(27)26(25-18)22-24-19-7-4-5-8-20(19)29-22/h4-5,7-12,14,23H,3,6,13H2,1-2H3/b17-14+
InChIKey
UEKCJWJSTHZSJJ-SAPNQHFASA-N
Synonyms
352705-28-3
(4E)2(13benzothiazol2yl)4(((4methoxybenzyl)amino)methylidene)5propyl24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4(((4METHOXYPHENYL)METHYLAMINO)METHYLIDENE)5PROPYLPYRAZOL3ONE
2(13BENZOTHIAZOL2YL)4(((4METHOXYBENZYL)IMINO)METHYL)5PROPYL12DIHYDRO3HPYRAZOL3ONE
352705283
CCCC1=NN(C(=O)C1=CNCc1ccc(cc1)OC)c1nc2c(s1)cccc2
CCCC1=NN(C(=O)C1=CNCC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4S3
InChI=1SC22H22N4O2Sc1361817(1423131591116(282)121015)21(27)26(2518)222419745820(19)2922h457121423H3613H212H3b1714+
MFCD01920426
ZINC000100163405
ZINC100163405

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Available files

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