Vitas-M small molecule compound
ethyl 4-[({[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK139838
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC)c1ccccc1Cl
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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 C21H21ClN4O3S MW 444.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O3S/c1-3-26-19(16-7-5-6-8-17(16)22)24-25-21(26)30-13-18(27)23-15-11-9-14(10-12-15)20(28)29-4-2/h5-12H,3-4,13H2,1-2H3,(H,23,27)InChIKey
URXMGNSVSDDDQP-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C3=CC=CC=C3Cl
ETHYL4((((5(2CHLOROPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((5(2CHLOROPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4(2(5(2CHLOROPHENYL)4ETHYL124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC21H21ClN4O3Sc132619(16756817(16)22)242521(26)301318(27)231511914(101215)20(28)2942h512H3413H212H3(H2327)
MFCD03998046
ZINC000001143973
ZINC01143973
ZINC1143973
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