Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-5-[({2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STK474052
SMILES C=CCn1c(SCc2csc(n2)c2cccc(c2)C(F)(F)F)nnc1c1ccc2c(c1)OCO2
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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 C23H17F3N4O2S2 MW 502.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17F3N4O2S2/c1-2-8-30-20(14-6-7-18-19(10-14)32-13-31-18)28-29-22(30)34-12-17-11-33-21(27-17)15-4-3-5-16(9-15)23(24,25)26/h2-7,9-11H,1,8,12-13H2InChIKey
GHUFFHPOYKZKRK-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)4(prop2en1yl)5(((2(3(trifluoromethyl)phenyl)13thiazol4yl)methyl)sulfanyl)4H124triazole
4((5(13benzodioxol5yl)4prop2enyl124triazol3yl)sulfanylmethyl)2(3(trifluoromethyl)phenyl)13thiazole
5(2HBENZO(34D)13DIOXOLEN5YL)4PROP2ENYL3((2(3(TRIFLUOROMETHYL)PHENYL)(13THIAZOL4YL))METHYLTHIO)124TRIAZOLE
C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC(=CC=C3)C(F)(F)F)C4=CC5=C(C=C4)OCO5
InChI=1SC23H17F3N4O2S2c1283020(14671819(1014)32133118)282922(30)341217113321(2717)1543516(915)23(2425)26h27911H181213H2
MFCD07612691
ZINC000020161327
ZINC20161327
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