Vitas-M small molecule compound

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

Catalog ID
STK267108
SMILES COc1cccc(c1)C(=O)CSc1nnc(n1C)c1ccc(cc1)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 C18H16ClN3O2S MW 373.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O2S/c1-22-17(12-6-8-14(19)9-7-12)20-21-18(22)25-11-16(23)13-4-3-5-15(10-13)24-2/h3-10H,11H2,1-2H3
InChIKey
BDCWAHCLAQZOCF-UHFFFAOYSA-N
Synonyms

2((5(4chlorophenyl)4methyl124triazol3yl)sulfanyl)1(3methoxyphenyl)ethanone
2((5(4CHLOROPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(3METHOXYPHENYL)ETHANONE
2(5(4CHLOROPHENYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)1(3METHOXYPHENYL)ETHANONE
CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)OC)C3=CC=C(C=C3)Cl
InChI=1SC18H16ClN3O2Sc12217(126814(19)9712)202118(22)251116(23)1343515(1013)242h310H11H212H3
MFCD09267759
ZINC000009531294
ZINC09531294
ZINC9531294

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Available files

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