Vitas-M small molecule compound
2-[5-(naphthalen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazole-4-carbohydrazide
Catalog ID
STL446523
SMILES O=C(c1csc(n1)n1nc(cc1c1ccc2c(c1)cccc2)C(F)(F)F)N/N=C/C=C/c1ccccc1
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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 C27H18F3N5OS MW 517.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18F3N5OS/c28-27(29,30)24-16-23(21-13-12-19-10-4-5-11-20(19)15-21)35(34-24)26-32-22(17-37-26)25(36)33-31-14-6-9-18-7-2-1-3-8-18/h1-17H,(H,33,36)/b9-6+,31-14+InChIKey
LKXQFYNEXHRTHS-TVGNPFPGSA-NSynonyms
2(5(naphthalen2yl)3(trifluoromethyl)1Hpyrazol1yl)N((1E2E)3phenylprop2en1ylidene)13thiazole4carbohydrazide
2(5NAPHTHALEN2YL3(TRIFLUOROMETHYL)PYRAZOL1YL)N((E)((E)3PHENYLPROP2ENYLIDENE)AMINO)13THIAZOLE4CARBOXAMIDE
C1=CC=C(C=C1)C=CC=NNC(=O)C2=CSC(=N2)N3C(=CC(=N3)C(F)(F)F)C4=CC5=CC=CC=C5C=C4
InChI=1SC27H18F3N5OSc2827(2930)241623(2113121910451120(19)1521)35(3424)263222(173726)25(36)33311469187213818h117H(H3336)b96+3114+
MFCD06241828
O=C(c1csc(n1)n1nc(cc1c1ccc2c(c1)cccc2)C(F)(F)F)NN=CC=Cc1ccccc1
ZINC000003765378
ZINC33604181
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