Vitas-M small molecule compound
methyl 4-({[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STL023641
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C1CCCCC1)c1ccccc1
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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 C24H26N4O3S MW 450.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O3S/c1-31-23(30)18-12-14-19(15-13-18)25-21(29)16-32-24-27-26-22(17-8-4-2-5-9-17)28(24)20-10-6-3-7-11-20/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3,(H,25,29)InChIKey
IOUKBLORPQTQCX-UHFFFAOYSA-NSynonyms
693229-89-9693229899
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4
InChI=1SC24H26N4O3Sc13123(30)18121419(151318)2521(29)163224272622(178425917)28(24)20106371120h24589121520H367101116H21H3(H2529)
methyl4((((4cyclohexyl5phenyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((4CYCLOHEXYL5PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
methyl4(2((4cyclohexyl5phenyl4H124triazol3yl)thio)acetamido)benzoate
MFCD03613040
ZINC000009456048
ZINC09456048
ZINC9456048
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