Vitas-M small molecule compound
propan-2-yl 3-[({[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK139843
SMILES O=C(Nc1cccc(c1)C(=O)OC(C)C)CSc1nnc(n1C)c1ccc(cc1Cl)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 C21H20Cl2N4O3S MW 479.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2N4O3S/c1-12(2)30-20(29)13-5-4-6-15(9-13)24-18(28)11-31-21-26-25-19(27(21)3)16-8-7-14(22)10-17(16)23/h4-10,12H,11H2,1-3H3,(H,24,28)InChIKey
YOXWVYZBFOYITA-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC21H20Cl2N4O3Sc112(2)3020(29)1354615(913)2418(28)113121262519(27(21)3)168714(22)1017(16)23h41012H11H213H3(H2428)
MFCD03998858
PROPAN2YL3((((5(24DICHLOROPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
PROPAN2YL3((2((5(24DICHLOROPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000001148735
ZINC01148735
ZINC1148735
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