Vitas-M small molecule compound

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

Catalog ID
STL299373
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)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 C24H18Cl2N4O3S MW 513.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18Cl2N4O3S/c1-33-23(32)15-6-10-17(11-7-15)27-21(31)14-34-24-29-28-22(19-4-2-3-5-20(19)26)30(24)18-12-8-16(25)9-13-18/h2-13H,14H2,1H3,(H,27,31)
InChIKey
OJRVTOAXXCBPGI-UHFFFAOYSA-N
Synonyms
861116-56-5
861116565
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4Cl
InChI=1SC24H18Cl2N4O3Sc13323(32)1561017(11715)2721(31)143424292822(19423520(19)26)30(24)1812816(25)91318h213H14H21H3(H2731)
methyl4((((5(2chlorophenyl)4(4chlorophenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((5(2CHLOROPHENYL)4(4CHLOROPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((5(2CHLOROPHENYL)4(4CHLOROPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
methyl4(2((5(2chlorophenyl)4(4chlorophenyl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2(4(4CHLOROPHENYL)5(2CHLOROPHENYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD05682926
ZINC000009307517
ZINC09307517
ZINC9307517

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.