Vitas-M small molecule compound

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

Catalog ID
STK267104
SMILES COc1cccc(c1)C(=O)CSc1nnc(n1C)c1cc2c(o1)cccc2

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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 C20H17N3O3S MW 379.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O3S/c1-23-19(18-11-14-6-3-4-9-17(14)26-18)21-22-20(23)27-12-16(24)13-7-5-8-15(10-13)25-2/h3-11H,12H2,1-2H3
InChIKey
OPMWWRMAQKECOE-UHFFFAOYSA-N
Synonyms

2((5(1benzofuran2yl)4methyl124triazol3yl)sulfanyl)1(3methoxyphenyl)ethanone
2((5(1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(3METHOXYPHENYL)ETHANONE
2(5BENZOFURAN2YL4METHYL4H(124)TRIAZOL3YLSULFANYL)1(3METHOXYPHENYL)ETHANONE
CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)OC)C3=CC4=CC=CC=C4O3
InChI=1SC20H17N3O3Sc12319(181114634917(14)2618)212220(23)271216(24)1375815(1013)252h311H12H212H3
MFCD09267756
ZINC000009582607
ZINC09582607
ZINC9582607

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Available files

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