Vitas-M small molecule compound
N-{[5-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide
Catalog ID
STK221547
SMILES COc1ccccc1C(=O)NCc1nnc(n1C)SCC(=O)Nc1ccc(c(c1)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 C22H25N5O3S MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O3S/c1-14-9-10-16(11-15(14)2)24-20(28)13-31-22-26-25-19(27(22)3)12-23-21(29)17-7-5-6-8-18(17)30-4/h5-11H,12-13H2,1-4H3,(H,23,29)(H,24,28)InChIKey
CFRAXYBNBFSBIM-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3OC)C
InChI=1SC22H25N5O3Sc11491016(1115(14)2)2420(28)133122262519(27(22)3)122321(29)17756818(17)304h511H1213H214H3(H2329)(H2428)
MFCD07403235
N((5((2((34DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)2METHOXYBENZAMIDE
N((5(2(34DIMETHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)2METHOXYBENZAMIDE
ZINC000009262783
ZINC09262783
ZINC9262783
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