Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-hydroxypropyl)amino]ethylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK234741
SMILES OCCCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CCC)/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 C18H22N4O2S MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O2S/c1-3-7-14-16(12(2)19-10-6-11-23)17(24)22(21-14)18-20-13-8-4-5-9-15(13)25-18/h4-5,8-9,19,23H,3,6-7,10-11H2,1-2H3/b16-12-InChIKey
WLWYPXROHBCWMH-VBKFSLOCSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(1((3hydroxypropyl)amino)ethylidene)5propyl24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4(1(3HYDROXYPROPYLAMINO)ETHYLIDENE)5PROPYLPYRAZOL3ONE
(Z)1(benzo(d)thiazol2yl)4(1((3hydroxypropyl)amino)ethylidene)3propyl1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL4(((3HYDROXYPROPYL)AMINO)ETHYLIDENE)3PROPYL12DIAZOLIN5ONE
CCCC1=NN(C(=O)C1=C(C)NCCCO)C2=NC3=CC=CC=C3S2
InChI=1SC18H22N4O2Sc1371416(12(2)191061123)17(24)22(2114)182013845915(13)2518h45891923H3671011H212H3b1612
MFCD07792718
OCCCNC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)CCC)C
ZINC000100423201
ZINC100423201
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