Vitas-M small molecule compound

N-(4-fluorophenyl)-4-[2-({(E)-[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]piperazine-1-carbothioamide

Catalog ID
STK767645
SMILES CCCC1=NN(C(=O)/C/1=C/NCCN1CCN(CC1)C(=S)Nc1ccc(cc1)F)c1ccc(cc1)F

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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 C26H30F2N6OS MW 512.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30F2N6OS/c1-2-3-24-23(25(35)34(31-24)22-10-6-20(28)7-11-22)18-29-12-13-32-14-16-33(17-15-32)26(36)30-21-8-4-19(27)5-9-21/h4-11,18,29H,2-3,12-17H2,1H3,(H,30,36)/b23-18+
InChIKey
MSQOYENOYXFFQM-PTGBLXJZSA-N
Synonyms

CCCC1=NN(C(=O)C1=CNCCN1CCN(CC1)C(=S)Nc1ccc(cc1)F)c1ccc(cc1)F
CCCC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=S)NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI=1SC26H30F2N6OSc1232423(25(35)34(3124)2210620(28)71122)1829121332141633(171532)26(36)30218419(27)5921h4111829H231217H21H3(H3036)b2318+
MFCD03034851
N(4fluorophenyl)4(2(((E)(1(4fluorophenyl)5oxo3propyl15dihydro4Hpyrazol4ylidene)methyl)amino)ethyl)piperazine1carbothioamide
N(4FLUOROPHENYL)4(2(((E)(1(4FLUOROPHENYL)5OXO3PROPYLPYRAZOL4YLIDENE)METHYL)AMINO)ETHYL)PIPERAZINE1CARBOTHIOAMIDE
ZINC000100113955
ZINC100113955

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Available files

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