Vitas-M small molecule compound
N'-[(E)-{3-methoxy-4-[(4-propylphenoxy)methyl]phenyl}methylidene]-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}furan-2-carbohydrazide
Catalog ID
STK182940
SMILES CCCc1ccc(cc1)OCc1ccc(cc1OC)/C=N/NC(=O)c1ccc(o1)Cn1nc(cc1C)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 C29H29F3N4O4 MW 554.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29F3N4O4/c1-4-5-20-7-10-23(11-8-20)39-18-22-9-6-21(15-26(22)38-3)16-33-34-28(37)25-13-12-24(40-25)17-36-19(2)14-27(35-36)29(30,31)32/h6-16H,4-5,17-18H2,1-3H3,(H,34,37)/b33-16+InChIKey
DZUWVATZIMBDHY-MHDJOFBISA-NSynonyms
CCCC1=CC=C(C=C1)OCC2=C(C=C(C=C2)C=NNC(=O)C3=CC=C(O3)CN4C(=CC(=N4)C(F)(F)F)C)OC
CCCc1ccc(cc1)OCc1ccc(cc1OC)C=NNC(=O)c1ccc(o1)Cn1nc(cc1C)C(F)(F)F
InChI=1SC29H29F3N4O4c1452071023(11820)3918229621(1526(22)383)16333428(37)25131224(4025)173619(2)1427(3536)29(3031)32h616H451718H213H3(H3437)b3316+
MFCD08672125
N((E)(3METHOXY4((4PROPYLPHENOXY)METHYL)PHENYL)METHYLIDENE)5((5METHYL3(TRIFLUOROMETHYL)1HPYRAZOL1YL)METHYL)FURAN2CARBOHYDRAZIDE
N((E)(3methoxy4((4propylphenoxy)methyl)phenyl)methylideneamino)5((5methyl3(trifluoromethyl)pyrazol1yl)methyl)furan2carboxamide
ZINC000097960736
ZINC101711943
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