Vitas-M small molecule compound
3,4-dichloro-N-({4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Catalog ID
STK124171
SMILES O=C(Nc1ccc(cc1)C(C)C)CSc1nnc(n1C)CNC(=O)c1ccc(c(c1)Cl)Cl
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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 C22H23Cl2N5O2S MW 492.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl2N5O2S/c1-13(2)14-4-7-16(8-5-14)26-20(30)12-32-22-28-27-19(29(22)3)11-25-21(31)15-6-9-17(23)18(24)10-15/h4-10,13H,11-12H2,1-3H3,(H,25,31)(H,26,30)InChIKey
KOTDAXOOQDYJES-UHFFFAOYSA-NSynonyms
34DICHLORON((4METHYL5((2OXO2((4(PROPAN2YL)PHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
34DICHLORON((4METHYL5(2OXO2(4PROPAN2YLANILINO)ETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
34DICHLORON((5((2(4ISOPROPYLANILINO)2OXOETHYL)THIO)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC22H23Cl2N5O2Sc113(2)144716(8514)2620(30)123222282719(29(22)3)112521(31)156917(23)18(24)1015h41013H1112H213H3(H2531)(H2630)
MFCD04152813
ZINC000000642290
ZINC00642290
ZINC642290
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