Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-5-({[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK474162
SMILES C=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 C22H17FN4O2S2 MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17FN4O2S2/c1-2-9-27-20(15-5-8-18-19(10-15)29-13-28-18)25-26-22(27)31-12-17-11-30-21(24-17)14-3-6-16(23)7-4-14/h2-8,10-11H,1,9,12-13H2InChIKey
CNWJPXASONABDV-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)5(((2(4fluorophenyl)13thiazol4yl)methyl)sulfanyl)4(prop2en1yl)4H124triazole
4((5(13benzodioxol5yl)4prop2enyl124triazol3yl)sulfanylmethyl)2(4fluorophenyl)13thiazole
5(2HBENZO(34D)13DIOXOLEN5YL)3((2(4FLUOROPHENYL)(13THIAZOL4YL))METHYLTHIO)4PROP2ENYL124TRIAZOLE
C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5
InChI=1SC22H17FN4O2S2c1292720(15581819(1015)29132818)252622(27)311217113021(2417)143616(23)7414h281011H191213H2
MFCD07612754
ZINC000020161323
ZINC20161323
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