Vitas-M small molecule compound
2,4-dichloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK140022
SMILES COc1ccc(cc1)NC(=O)CSc1nnc(n1C)C(NC(=O)c1ccc(cc1Cl)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 C21H21Cl2N5O3S MW 494.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N5O3S/c1-12(24-20(30)16-9-4-13(22)10-17(16)23)19-26-27-21(28(19)2)32-11-18(29)25-14-5-7-15(31-3)8-6-14/h4-10,12H,11H2,1-3H3,(H,24,30)(H,25,29)InChIKey
KPJVNTXVELZYIE-UHFFFAOYSA-NSynonyms
24DICHLORON(1(5((2((4METHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
24DICHLORON(1(5(2(4METHOXYANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)OC)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC21H21Cl2N5O3Sc112(2420(30)169413(22)1017(16)23)19262721(28(19)2)321118(29)25145715(313)8614h41012H11H213H3(H2430)(H2529)
MFCD04212961
ZINC000001108473
ZINC000001108474
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