Vitas-M small molecule compound

2,4-dichloro-N-(1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide

Catalog ID
STK140059
SMILES O=C(Nc1cccc(c1)C(F)(F)F)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 C21H18Cl2F3N5O2S MW 532.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2F3N5O2S/c1-11(27-19(33)15-7-6-13(22)9-16(15)23)18-29-30-20(31(18)2)34-10-17(32)28-14-5-3-4-12(8-14)21(24,25)26/h3-9,11H,10H2,1-2H3,(H,27,33)(H,28,32)
InChIKey
JUGIAMRVJZFOLH-UHFFFAOYSA-N
Synonyms

24DICHLORON((1S)1(4METHYL5((2OXO2((3(TRIFLUOROMETHYL)PHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
24DICHLORON(1(4METHYL5((2OXO2((3(TRIFLUOROMETHYL)PHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
24DICHLORON(1(4METHYL5(2OXO2(3(TRIFLUOROMETHYL)ANILINO)ETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC21H18Cl2F3N5O2Sc111(2719(33)157613(22)916(15)23)18293020(31(18)2)341017(32)281453412(814)21(2425)26h3911H10H212H3(H2733)(H2832)
MFCD04212681
ZINC000002840995
ZINC000002840996

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Available files

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