Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(morpholin-4-yl)propyl]amino}propylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL171135
SMILES CC/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NCCCN1CCOCC1
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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 C21H24F3N5O2S MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24F3N5O2S/c1-2-14(25-8-5-9-28-10-12-31-13-11-28)17-18(21(22,23)24)27-29(19(17)30)20-26-15-6-3-4-7-16(15)32-20/h3-4,6-7,25H,2,5,8-13H2,1H3/b17-14+InChIKey
DMCVTPAOJQUFDF-SAPNQHFASA-NSynonyms
(4E)2(13benzothiazol2yl)4(1((3(morpholin4yl)propyl)amino)propylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13benzothiazol2yl)4(1(3morpholin4ylpropylamino)propylidene)5(trifluoromethyl)pyrazol3one
CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NCCCN4CCOCC4
CCC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)NCCCN1CCOCC1
InChI=1SC21H24F3N5O2Sc1214(2585928101231131128)1718(21(2223)24)2729(19(17)30)202615634716(15)3220h346725H25813H21H3b1714+
MFCD01834889
ZINC000015930720
ZINC15930720
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