Vitas-M small molecule compound
3,4-dichloro-N-{2-[5-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK186684
SMILES O=C(Nc1ccc(c(c1)Cl)C)CSc1nnc(n1C)CCNC(=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 C21H20Cl3N5O2S MW 512.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl3N5O2S/c1-12-3-5-14(10-16(12)23)26-19(30)11-32-21-28-27-18(29(21)2)7-8-25-20(31)13-4-6-15(22)17(24)9-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,25,31)(H,26,30)InChIKey
IQKAGHDDGCKTNT-UHFFFAOYSA-NSynonyms
34DICHLORON(2(5((2((3CHLORO4METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
34DICHLORON(2(5((3CHLORO4METHYLPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)ETHYL)BENZAMIDE
34DICHLORON(2(5(2(3CHLORO4METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl)Cl
InChI=1SC21H20Cl3N5O2Sc1123514(1016(12)23)2619(30)113221282718(29(21)2)782520(31)134615(22)17(24)913h36910H7811H212H3(H2531)(H2630)
MFCD06665892
ZINC000009261893
ZINC09261893
ZINC9261893
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