Vitas-M small molecule compound

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

Catalog ID
STK139892
SMILES CC(C(c1nnc([nH]1)SCC(=O)N1CCN(CC1)c1ccccc1)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 C25H28Cl2N6O2S MW 547.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28Cl2N6O2S/c1-16(2)22(28-24(35)19-9-8-17(26)14-20(19)27)23-29-25(31-30-23)36-15-21(34)33-12-10-32(11-13-33)18-6-4-3-5-7-18/h3-9,14,16,22H,10-13,15H2,1-2H3,(H,28,35)(H,29,30,31)
InChIKey
LOMXTNIRIQDRTE-UHFFFAOYSA-N
Synonyms

24DICHLORON(2METHYL1(3(2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)SULFANYL1H124TRIAZOL5YL)PROPYL)BENZAMIDE
24DICHLORON(2METHYL1(5((2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)SULFANYL)4H124TRIAZOL3YL)PROPYL)BENZAMIDE
CC(C(c1nnc((nH)1)SCC(=O)N1CCN(CC1)c1ccccc1)NC(=O)c1ccc(cc1Cl)Cl)C
CC(C)C(C1=NC(=NN1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI=1SC25H28Cl2N6O2Sc116(2)22(2824(35)199817(26)1420(19)27)232925(313023)361521(34)33121032(111333)186435718h39141622H101315H212H3(H2835)(H293031)
MFCD08671349
ZINC000098045488
ZINC000098045489

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Available files

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