Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-5-({[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK474126
SMILES C=CCn1c(SCc2csc(n2)c2cccc(c2)C)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 C23H20N4O2S2 MW 448.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O2S2/c1-3-9-27-21(16-7-8-19-20(11-16)29-14-28-19)25-26-23(27)31-13-18-12-30-22(24-18)17-6-4-5-15(2)10-17/h3-8,10-12H,1,9,13-14H2,2H3InChIKey
GGAJTNGEMJEYEH-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)5(((2(3methylphenyl)13thiazol4yl)methyl)sulfanyl)4(prop2en1yl)4H124triazole
4((5(13benzodioxol5yl)4prop2enyl124triazol3yl)sulfanylmethyl)2(3methylphenyl)13thiazole
5(2HBENZO(34D)13DIOXOLEN5YL)3((2(3METHYLPHENYL)(13THIAZOL4YL))METHYLTHIO)4PROP2ENYL124TRIAZOLE
CC1=CC=CC(=C1)C2=NC(=CS2)CSC3=NN=C(N3CC=C)C4=CC5=C(C=C4)OCO5
InChI=1SC23H20N4O2S2c1392721(16781920(1116)29142819)252623(27)311318123022(2418)1764515(2)1017h381012H191314H22H3
MFCD07612720
ZINC000019647790
ZINC19647790
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