Vitas-M small molecule compound
N-(3-chloro-4-methylphenyl)-2-(5-{[2-(4-cyanophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)acetamide
Catalog ID
STK261115
SMILES N#Cc1ccc(cc1)C(=O)CSc1nnc(n1C)CC(=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 C21H18ClN5O2S MW 439.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5O2S/c1-13-3-8-16(9-17(13)22)24-20(29)10-19-25-26-21(27(19)2)30-12-18(28)15-6-4-14(11-23)5-7-15/h3-9H,10,12H2,1-2H3,(H,24,29)InChIKey
LFLDQSHKYVSMHD-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)C#N)Cl
InChI=1SC21H18ClN5O2Sc1133816(917(13)22)2420(29)1019252621(27(19)2)301218(28)156414(1123)5715h39H1012H212H3(H2429)
MFCD08670584
N(3CHLORO4METHYLPHENYL)2(5((2(4CYANOPHENYL)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ACETAMIDE
N(3chloro4methylphenyl)2(5(2(4cyanophenyl)2oxoethyl)sulfanyl4methyl124triazol3yl)acetamide
N(3CHLORO4METHYLPHENYL)2(5(2(4CYANOPHENYL)2OXOETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)ACETAMIDE
ZINC000009426807
ZINC09426807
ZINC9426807
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