Vitas-M small molecule compound
S-[4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazol-3-yl] 2-(4-butoxyphenyl)quinoline-4-carbothioate
Catalog ID
STK435190
SMILES CCCCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Sc1nnc(n1C)c1csc(c1)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 C28H26N4O2S2 MW 514.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O2S2/c1-4-5-14-34-21-12-10-19(11-13-21)25-16-23(22-8-6-7-9-24(22)29-25)27(33)36-28-31-30-26(32(28)3)20-15-18(2)35-17-20/h6-13,15-17H,4-5,14H2,1-3H3InChIKey
LBTFAMBZMCIBIY-UHFFFAOYSA-NSynonyms
2(4BUTOXYPHENYL)(4QUINOLYL)4METHYL5(5METHYL(3THIENYL))(124TRIAZOL3YLTHIO)KETONE
CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)SC4=NN=C(N4C)C5=CSC(=C5)C
InChI=1SC28H26N4O2S2c145143421121019(111321)251623(22867924(22)2925)27(33)3628313026(32(28)3)201518(2)351720h6131517H4514H213H3
MFCD03943095
S(4METHYL5(5METHYLTHIOPHEN3YL)124TRIAZOL3YL)2(4BUTOXYPHENYL)QUINOLINE4CARBOTHIOATE
S(4methyl5(5methylthiophen3yl)4H124triazol3yl)2(4butoxyphenyl)quinoline4carbothioate
ZINC000020594810
ZINC20594810
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