Vitas-M small molecule compound
N-{2-[5-({2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide
Catalog ID
STL139263
SMILES O=C(Nc1ccc(c(c1)Cl)Cl)CSc1nnc(n1C)CCNC(=O)c1cccc(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 C21H21Cl2N5O2S MW 478.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N5O2S/c1-13-4-3-5-14(10-13)20(30)24-9-8-18-26-27-21(28(18)2)31-12-19(29)25-15-6-7-16(22)17(23)11-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,30)(H,25,29)InChIKey
VXFGJWMOFUEZSE-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C(=O)NCCC2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI=1SC21H21Cl2N5O2Sc11343514(1013)20(30)249818262721(28(18)2)311219(29)25156716(22)17(23)1115h371011H8912H212H3(H2430)(H2529)
MFCD05111225
N(2(5((2((34dichlorophenyl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)ethyl)3methylbenzamide
N(2(5(2(34DICHLOROANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)3METHYLBENZAMIDE
ZINC000002859298
ZINC02859298
ZINC2859298
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