Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(morpholin-4-yl)ethylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK057814
SMILES O=C1N(N=C(/C/1=C(/N1CCOCC1)\C)c1ccccc1)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 C22H20N4O2S MW 404.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O2S/c1-15(25-11-13-28-14-12-25)19-20(16-7-3-2-4-8-16)24-26(21(19)27)22-23-17-9-5-6-10-18(17)29-22/h2-10H,11-14H2,1H3/b19-15-InChIKey
HAWZVLQBIMYAJA-CYVLTUHYSA-NSynonyms
(4Z)2(13BENZOTHIAZOL2YL)4(1(MORPHOLIN4YL)ETHYLIDENE)5PHENYL24DIHYDRO3HPYRAZOL3ONE
(4Z)2(13BENZOTHIAZOL2YL)4(1MORPHOLIN4YLETHYLIDENE)5PHENYLPYRAZOL3ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)N5CCOCC5
InChI=1SC22H20N4O2Sc115(25111328141225)1920(167324816)2426(21(19)27)2223179561018(17)2922h210H1114H21H3b1915
MFCD01956840
O=C1N(N=C(C1=C(N1CCOCC1)C)c1ccccc1)c1nc2c(s1)cccc2
STK057814
ZINC000004181572
ZINC04181572
ZINC4181572
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