Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-4-ethyl-5-({[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole
Catalog ID
STK475929
SMILES CCn1c(SCc2csc(n2)c2ccc(cc2)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 C21H17FN4O2S2 MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN4O2S2/c1-2-26-19(14-5-8-17-18(9-14)28-12-27-17)24-25-21(26)30-11-16-10-29-20(23-16)13-3-6-15(22)7-4-13/h3-10H,2,11-12H2,1H3InChIKey
KICRWEUSSKTBOO-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)4ethyl5(((2(4fluorophenyl)13thiazol4yl)methyl)sulfanyl)4H124triazole
4((5(13benzodioxol5yl)4ethyl124triazol3yl)sulfanylmethyl)2(4fluorophenyl)13thiazole
5(2HBENZO(34D)13DIOXOLEN5YL)4ETHYL3((2(4FLUOROPHENYL)(13THIAZOL4YL))METHYLTHIO)124TRIAZOLE
CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5
InChI=1SC21H17FN4O2S2c122619(14581718(914)28122717)242521(26)301116102920(2316)133615(22)7413h310H21112H21H3
MFCD07613045
ZINC000019631889
ZINC19631889
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