Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(cyclopentylamino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK149815
SMILES C/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NC1CCCC1
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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 C18H17F3N4OS MW 394.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F3N4OS/c1-10(22-11-6-2-3-7-11)14-15(18(19,20)21)24-25(16(14)26)17-23-12-8-4-5-9-13(12)27-17/h4-5,8-9,11,22H,2-3,6-7H2,1H3/b14-10+InChIKey
OBABZGLZGDFZAP-GXDHUFHOSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(1(CYCLOPENTYLAMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13benzothiazol2yl)4(1(cyclopentylamino)ethylidene)5(trifluoromethyl)pyrazol3one
1BENZOTHIAZOL2YL4((CYCLOPENTYLAMINO)ETHYLIDENE)3(TRIFLUOROMETHYL)12DIAZOLIN5ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NC4CCCC4
CC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)NC1CCCC1
InChI=1SC18H17F3N4OSc110(2211623711)1415(18(1920)21)2425(16(14)26)172312845913(12)2717h45891122H2367H21H3b1410+
MFCD03759858
ZINC000004679125
ZINC4679125
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