Vitas-M small molecule compound
(4E)-4-{1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethylidene}-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL444567
SMILES C/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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 C25H22F3N5O3S MW 529.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22F3N5O3S/c1-15(32-10-8-31(9-11-32)13-16-6-7-18-19(12-16)36-14-35-18)21-22(25(26,27)28)30-33(23(21)34)24-29-17-4-2-3-5-20(17)37-24/h2-7,12H,8-11,13-14H2,1H3/b21-15+InChIKey
CVEAVQSEDWPKQN-RCCKNPSSSA-NSynonyms
(4E)4(1(4(13benzodioxol5ylmethyl)piperazin1yl)ethylidene)2(13benzothiazol2yl)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)4(1(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)ETHYLIDENE)2(13BENZOTHIAZOL2YL)5(TRIFLUOROMETHYL)PYRAZOL3ONE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
CC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC25H22F3N5O3Sc115(3210831(91132)1316671819(1216)36143518)2122(25(2627)28)3033(23(21)34)242917423520(17)3724h2712H8111314H21H3b2115+
MFCD01943450
ZINC000001218429
ZINC1218429
Check stock
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