Vitas-M small molecule compound
2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
Catalog ID
STK289081
SMILES COc1cc(ccc1OC)C(=O)CSc1nnc(n1CC)Cc1ccccc1
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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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-4-24-20(12-15-8-6-5-7-9-15)22-23-21(24)28-14-17(25)16-10-11-18(26-2)19(13-16)27-3/h5-11,13H,4,12,14H2,1-3H3InChIKey
OKEIXTVVVUCUHF-UHFFFAOYSA-NSynonyms
2((5BENZYL4ETHYL124TRIAZOL3YL)SULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
2((5BENZYL4ETHYL4H124TRIAZOL3YL)SULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3
InChI=1SC21H23N3O3Sc142420(12158657915)222321(24)281417(25)16101118(262)19(1316)273h51113H41214H213H3
MFCD08192916
ZINC000005430174
ZINC05430174
ZINC5430174
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