Vitas-M small molecule compound
5-ethoxy-2-(2-methylprop-2-en-1-yl)-4-[6-methyl-3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK685253
SMILES CCOc1nn(c(=S)n1c1sc2c(c1c1ncn[nH]1)CCC(C2)C)CC(=C)C
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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 C19H24N6OS2 MW 416.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N6OS2/c1-5-26-18-23-24(9-11(2)3)19(27)25(18)17-15(16-20-10-21-22-16)13-7-6-12(4)8-14(13)28-17/h10,12H,2,5-9H2,1,3-4H3,(H,20,21,22)InChIKey
XGYCCAZBPUFAOM-UHFFFAOYSA-NSynonyms
5ethoxy2(2methylprop2en1yl)4(6methyl3(1H124triazol5yl)4567tetrahydro1benzothiophen2yl)24dihydro3H124triazole3thione
5ethoxy2(2methylprop2enyl)4(6methyl3(1H124triazol5yl)4567tetrahydro1benzothiophen2yl)124triazole3thione
CCOC1=NN(C(=S)N1C2=C(C3=C(S2)CC(CC3)C)C4=NC=NN4)CC(=C)C
CCOc1nn(c(=S)n1c1sc2c(c1c1ncn(nH)1)CCC(C2)C)CC(=C)C
InChI=1SC19H24N6OS2c1526182324(911(2)3)19(27)25(18)1715(162010212216)137612(4)814(13)2817h1012H259H2134H3(H202122)
MFCD05858044
ZINC000001428865
ZINC000001428866
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