Vitas-M small molecule compound
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-[5-(naphthalen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
Catalog ID
STL438179
SMILES COc1ccc(cc1OC)/C=N/NC(=O)c1csc(n1)n1nc(cc1c1ccc2c(c1)cccc2)C(F)(F)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 C27H20F3N5O3S MW 551.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20F3N5O3S/c1-37-22-10-7-16(11-23(22)38-2)14-31-33-25(36)20-15-39-26(32-20)35-21(13-24(34-35)27(28,29)30)19-9-8-17-5-3-4-6-18(17)12-19/h3-15H,1-2H3,(H,33,36)/b31-14+InChIKey
XNAMKRNZKHBKRH-XAZZYMPDSA-NSynonyms
COC1=C(C=C(C=C1)C=NNC(=O)C2=CSC(=N2)N3C(=CC(=N3)C(F)(F)F)C4=CC5=CC=CC=C5C=C4)OC
COc1ccc(cc1OC)C=NNC(=O)c1csc(n1)n1nc(cc1c1ccc2c(c1)cccc2)C(F)(F)F
InChI=1SC27H20F3N5O3Sc1372210716(1123(22)382)14313325(36)20153926(3220)3521(1324(3435)27(2829)30)199817534618(17)1219h315H12H3(H3336)b3114+
MFCD06241840
N((E)(34dimethoxyphenyl)methylidene)2(5(naphthalen2yl)3(trifluoromethyl)1Hpyrazol1yl)13thiazole4carbohydrazide
N((E)(34dimethoxyphenyl)methylideneamino)2(5naphthalen2yl3(trifluoromethyl)pyrazol1yl)13thiazole4carboxamide
ZINC000003765684
ZINC101389691
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