Vitas-M small molecule compound

propan-2-yl 3-[({[5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK114786
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=O)OC(C)C)nnc1c1ccc(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 C22H22Cl2N4O3S MW 493.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N4O3S/c1-4-28-20(17-9-8-15(23)11-18(17)24)26-27-22(28)32-12-19(29)25-16-7-5-6-14(10-16)21(30)31-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,25,29)
InChIKey
KPYPFWRLQPKFSN-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC22H22Cl2N4O3Sc142820(179815(23)1118(17)24)262722(28)321219(29)251675614(1016)21(30)3113(2)3h51113H412H213H3(H2529)
MFCD03996585
PROPAN2YL3((((5(24DICHLOROPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
PROPAN2YL3((2((5(24DICHLOROPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000001145362
ZINC01145362
ZINC1145362

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Available files

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