Vitas-M small molecule compound
N-(3-chloro-4-methylphenyl)-3-[4-methyl-5-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]propanamide
Catalog ID
STK230590
SMILES O=C(Nc1ccc(c(c1)Cl)C)CCc1nnc(n1C)SCC(=O)Nc1ccccc1C
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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 C22H24ClN5O2S MW 457.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN5O2S/c1-14-8-9-16(12-17(14)23)24-20(29)11-10-19-26-27-22(28(19)3)31-13-21(30)25-18-7-5-4-6-15(18)2/h4-9,12H,10-11,13H2,1-3H3,(H,24,29)(H,25,30)InChIKey
LQDLLLVBAWSVLF-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3C)Cl
InChI=1SC22H24ClN5O2Sc1148916(1217(14)23)2420(29)111019262722(28(19)3)311321(30)2518754615(18)2h4912H101113H213H3(H2429)(H2530)
MFCD06627477
N(3CHLORO4METHYLPHENYL)3(4METHYL5((2((2METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)PROPANAMIDE
N(3CHLORO4METHYLPHENYL)3(4METHYL5((2((2METHYLPHENYL)AMINO)2OXOETHYL)THIO)4H124TRIAZOL3YL)PROPANAMIDE
N(3CHLORO4METHYLPHENYL)3(4METHYL5(2(2METHYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)PROPANAMIDE
ZINC000002879661
ZINC02879661
ZINC2879661
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