Vitas-M small molecule compound
N-(3-chloro-4-methylphenyl)-3-(5-{[2-(4-cyanophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)propanamide
Catalog ID
STK245869
SMILES N#Cc1ccc(cc1)C(=O)CSc1nnc(n1C)CCC(=O)Nc1ccc(c(c1)Cl)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 C22H20ClN5O2S MW 453.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O2S/c1-14-3-8-17(11-18(14)23)25-21(30)10-9-20-26-27-22(28(20)2)31-13-19(29)16-6-4-15(12-24)5-7-16/h3-8,11H,9-10,13H2,1-2H3,(H,25,30)InChIKey
UXDCIQXYRBEFOW-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)C#N)Cl
InChI=1SC22H20ClN5O2Sc1143817(1118(14)23)2521(30)10920262722(28(20)2)311319(29)166415(1224)5716h3811H91013H212H3(H2530)
MFCD08670632
N(3CHLORO4METHYLPHENYL)3(5((2(4CYANOPHENYL)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)PROPANAMIDE
N(3chloro4methylphenyl)3(5(2(4cyanophenyl)2oxoethyl)sulfanyl4methyl124triazol3yl)propanamide
N(3CHLORO4METHYLPHENYL)3(5(2(4CYANOPHENYL)2OXOETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)PROPIONAMIDE
ZINC000009328338
ZINC09328338
ZINC9328338
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