Vitas-M small molecule compound

2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone

Catalog ID
STK578164
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)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 C23H17Cl2N3O2S MW 470.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17Cl2N3O2S/c1-30-20-11-5-15(6-12-20)21(29)14-31-23-27-26-22(16-3-2-4-18(25)13-16)28(23)19-9-7-17(24)8-10-19/h2-13H,14H2,1H3
InChIKey
YGHSXBDOEHYNGQ-UHFFFAOYSA-N
Synonyms
896836-41-2
2((5(3CHLOROPHENYL)4(4CHLOROPHENYL)124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2((5(3CHLOROPHENYL)4(4CHLOROPHENYL)4H124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHAN1ONE
2((5(3chlorophenyl)4(4chlorophenyl)4H124triazol3yl)sulfanyl)1(4methoxyphenyl)ethanone
2((5(3chlorophenyl)4(4chlorophenyl)4H124triazol3yl)thio)1(4methoxyphenyl)ethanone
2(4(4CHLOROPHENYL)5(3CHLOROPHENYL)(124TRIAZOL3YLTHIO))1(4METHOXYPHENYL)ETHAN1ONE
896836412
COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Cl
InChI=1SC23H17Cl2N3O2Sc1302011515(61220)21(29)143123272622(1632418(25)1316)28(23)199717(24)81019h213H14H21H3
MFCD06600682
ZINC000002226021
ZINC02226021
ZINC2226021

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Available files

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