Vitas-M small molecule compound
3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-ethyl-5-(4-ethyl-5-methylthiophen-3-yl)-4H-1,2,4-triazole
Catalog ID
STK469907
SMILES CCc1c(C)scc1c1nnc(n1CC)SCc1csc(n1)c1ccc2c(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 C22H22N4O2S3 MW 470.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S3/c1-4-16-13(3)29-11-17(16)20-24-25-22(26(20)5-2)31-10-15-9-30-21(23-15)14-6-7-18-19(8-14)28-12-27-18/h6-9,11H,4-5,10,12H2,1-3H3InChIKey
CNUWOOCCRWFRBU-UHFFFAOYSA-NSynonyms
2(13benzodioxol5yl)4((4ethyl5(4ethyl5methylthiophen3yl)124triazol3yl)sulfanylmethyl)13thiazole
3(((2(13benzodioxol5yl)13thiazol4yl)methyl)sulfanyl)4ethyl5(4ethyl5methylthiophen3yl)4H124triazole
5((2(2HBENZO(34D)13DIOXOLAN5YL)(13THIAZOL4YL))METHYLTHIO)4ETHYL3(4ETHYL5METHYL(3THIENYL))124TRIAZOLE
CCC1=C(SC=C1C2=NN=C(N2CC)SCC3=CSC(=N3)C4=CC5=C(C=C4)OCO5)C
InChI=1SC22H22N4O2S3c141613(3)291117(16)20242522(26(20)52)31101593021(2315)14671819(814)28122718h6911H451012H213H3
MFCD07062958
ZINC000020191700
ZINC20191700
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