Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-4-ethyl-5-[({2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STK474053
SMILES 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 C22H17F3N4O2S2 MW 490.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F3N4O2S2/c1-2-29-19(13-6-7-17-18(9-13)31-12-30-17)27-28-21(29)33-11-16-10-32-20(26-16)14-4-3-5-15(8-14)22(23,24)25/h3-10H,2,11-12H2,1H3InChIKey
BTAIFUUDPFIEIF-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)4ethyl5(((2(3(trifluoromethyl)phenyl)13thiazol4yl)methyl)sulfanyl)4H124triazole
4((5(13benzodioxol5yl)4ethyl124triazol3yl)sulfanylmethyl)2(3(trifluoromethyl)phenyl)13thiazole
5(2HBENZO(34D)13DIOXOLEN5YL)4ETHYL3((2(3(TRIFLUOROMETHYL)PHENYL)(13THIAZOL4YL))METHYLTHIO)124TRIAZOLE
CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC(=CC=C3)C(F)(F)F)C4=CC5=C(C=C4)OCO5
InChI=1SC22H17F3N4O2S2c122919(13671718(913)31123017)272821(29)331116103220(2616)1443515(814)22(2324)25h310H21112H21H3
MFCD07612692
ZINC000020214869
ZINC20214869
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