Vitas-M small molecule compound

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

Catalog ID
STK097060
SMILES COCCCN/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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-28-13-5-12-23-14-17-20(15-8-10-16(29-2)11-9-15)25-26(21(17)27)22-24-18-6-3-4-7-19(18)30-22/h3-4,6-11,14,23H,5,12-13H2,1-2H3/b17-14+
InChIKey
WZJPDCVZOOFWAV-SAPNQHFASA-N
Synonyms

(4E)2(13BENZOTHIAZOL2YL)5(4METHOXYPHENYL)4(((3METHOXYPROPYL)AMINO)METHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)5(4methoxyphenyl)4((3methoxypropylamino)methylidene)pyrazol3one
COCCCNC=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccc(cc1)OC
COCCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC
InChI=1SC22H22N4O3Sc1281351223141720(1581016(292)11915)2526(21(17)27)222418634719(18)3022h346111423H51213H212H3b1714+
MFCD08679712
STK097060
ZINC000009730721
ZINC09730721
ZINC9730721

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Available files

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