Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone
Catalog ID
STK231031
SMILES COc1cc(ccc1OC)C(=O)CSc1nnc(n1CC)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 C21H21N3O5S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5S/c1-4-24-20(14-6-8-17-19(10-14)29-12-28-17)22-23-21(24)30-11-15(25)13-5-7-16(26-2)18(9-13)27-3/h5-10H,4,11-12H2,1-3H3InChIKey
JDBSLQWKFUMWKZ-UHFFFAOYSA-NSynonyms
2((5(13BENZODIOXOL5YL)4ETHYL124TRIAZOL3YL)SULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
2((5(13benzodioxol5yl)4ethyl4H124triazol3yl)sulfanyl)1(34dimethoxyphenyl)ethanone
2(5BENZO(13)DIOXOL5YL4ETHYL4H(124)TRIAZOL3YLSULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC)C3=CC4=C(C=C3)OCO4
InChI=1SC21H21N3O5Sc142420(14681719(1014)29122817)222321(24)301115(25)135716(262)18(913)273h510H41112H213H3
MFCD07791823
ZINC000009290002
ZINC09290002
ZINC9290002
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