Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-hydroxypropyl)amino]ethylidene}-5-(4-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK232003
SMILES OCCCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccc(cc1)OC)/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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-14(23-12-5-13-27)19-20(15-8-10-16(29-2)11-9-15)25-26(21(19)28)22-24-17-6-3-4-7-18(17)30-22/h3-4,6-11,23,27H,5,12-13H2,1-2H3/b19-14-InChIKey
KGSHMUAPPDFMIJ-RGEXLXHISA-NSynonyms
(4Z)2(13benzothiazol2yl)4(1((3hydroxypropyl)amino)ethylidene)5(4methoxyphenyl)24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4(1(3HYDROXYPROPYLAMINO)ETHYLIDENE)5(4METHOXYPHENYL)PYRAZOL3ONE
1BENZOTHIAZOL2YL4(((3HYDROXYPROPYL)AMINO)ETHYLIDENE)3(4METHOXYPHENYL)12DIAZOLIN5ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC)NCCCO
InChI=1SC22H22N4O3Sc114(231251327)1920(1581016(292)11915)2526(21(19)28)222417634718(17)3022h346112327H51213H212H3b1914
MFCD07598799
OCCCNC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccc(cc1)OC)C
ZINC000009290285
ZINC09290285
ZINC9290285
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