Vitas-M small molecule compound

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

Catalog ID
STK231008
SMILES COc1cc(ccc1OC)C(=O)CSc1nnc(n1C)c1ccc2c(c1)OCO2

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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 C20H19N3O5S MW 413.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5S/c1-23-19(13-5-7-16-18(9-13)28-11-27-16)21-22-20(23)29-10-14(24)12-4-6-15(25-2)17(8-12)26-3/h4-9H,10-11H2,1-3H3
InChIKey
KPBWJWJMXHOHJD-UHFFFAOYSA-N
Synonyms

2((5(13BENZODIOXOL5YL)4METHYL124TRIAZOL3YL)SULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
2((5(13benzodioxol5yl)4methyl4H124triazol3yl)sulfanyl)1(34dimethoxyphenyl)ethanone
2(5BENZO(13)DIOXOL5YL4METHYL4H(124)TRIAZOL3YLSULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC)C3=CC4=C(C=C3)OCO4
InChI=1SC20H19N3O5Sc12319(13571618(913)28112716)212220(23)291014(24)124615(252)17(812)263h49H1011H213H3
MFCD07791800
ZINC000004736387
ZINC04736387
ZINC4736387

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Available files

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