Vitas-M small molecule compound
1'-{(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-1,4'-bipiperidine-4'-carboxamide
Catalog ID
STK325888
SMILES C/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/N1CCC(CC1)(C(=O)N)N1CCCCC1
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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 C24H27F3N6O2S MW 520.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27F3N6O2S/c1-15(31-13-9-23(10-14-31,21(28)35)32-11-5-2-6-12-32)18-19(24(25,26)27)30-33(20(18)34)22-29-16-7-3-4-8-17(16)36-22/h3-4,7-8H,2,5-6,9-14H2,1H3,(H2,28,35)/b18-15-InChIKey
OMYUGTVHKVJDCI-SDXDJHTJSA-NSynonyms
1((1Z)1(1(13benzothiazol2yl)5oxo3(trifluoromethyl)15dihydro4Hpyrazol4ylidene)ethyl)14bipiperidine4carboxamide
1((1Z)1(1(13BENZOTHIAZOL2YL)5OXO3(TRIFLUOROMETHYL)PYRAZOL4YLIDENE)ETHYL)4PIPERIDIN1YLPIPERIDINE4CARBOXAMIDE
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)N4CCC(CC4)(C(=O)N)N5CCCCC5
CC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)N1CCC(CC1)(C(=O)N)N1CCCCC1
InChI=1SC24H27F3N6O2Sc115(3113923(10143121(28)35)32115261232)1819(24(2526)27)3033(20(18)34)222916734817(16)3622h3478H256914H21H3(H22835)b1815
MFCD03163296
ZINC000002801178
ZINC2801178
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