Vitas-M small molecule compound
N'-[(E)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]-2-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
Catalog ID
STL448179
SMILES ClCCN(c1ccc(cc1)/C=N/NC(=O)c1csc(n1)n1nc(cc1C(F)(F)F)c1ccccc1)CCCl
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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 C25H21Cl2F3N6OS MW 581.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2F3N6OS/c26-10-12-35(13-11-27)19-8-6-17(7-9-19)15-31-33-23(37)21-16-38-24(32-21)36-22(25(28,29)30)14-20(34-36)18-4-2-1-3-5-18/h1-9,14-16H,10-13H2,(H,33,37)/b31-15+InChIKey
NTGFKZAHPCMHRK-IBBHUPRXSA-NSynonyms
C1=CC=C(C=C1)C2=NN(C(=C2)C(F)(F)F)C3=NC(=CS3)C(=O)NN=CC4=CC=C(C=C4)N(CCCl)CCCl
ClCCN(c1ccc(cc1)C=NNC(=O)c1csc(n1)n1nc(cc1C(F)(F)F)c1ccccc1)CCCl
InChI=1SC25H21Cl2F3N6OSc26101235(131127)198617(7919)15313323(37)21163824(3221)3622(25(2829)30)1420(3436)184213518h191416H1013H2(H3337)b3115+
MFCD30712966
N((E)(4(bis(2chloroethyl)amino)phenyl)methylidene)2(3phenyl5(trifluoromethyl)1Hpyrazol1yl)13thiazole4carbohydrazide
N((E)(4(bis(2chloroethyl)amino)phenyl)methylideneamino)2(3phenyl5(trifluoromethyl)pyrazol1yl)13thiazole4carboxamide
ZINC000101380502
ZINC101380500
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