Vitas-M small molecule compound
2-(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-2-ethoxyphenyl)-2H-benzotriazole
Catalog ID
STK779082
SMILES CCOc1ccc(cc1n1nc2c(n1)cccc2)CSc1nc(C)cc(n1)C
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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 C21H21N5OS MW 391.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5OS/c1-4-27-20-10-9-16(13-28-21-22-14(2)11-15(3)23-21)12-19(20)26-24-17-7-5-6-8-18(17)25-26/h5-12H,4,13H2,1-3H3InChIKey
GJUQHCUSTMJPAI-UHFFFAOYSA-NSynonyms
2(5(((46dimethylpyrimidin2yl)sulfanyl)methyl)2ethoxyphenyl)2Hbenzotriazole
2(5((46DIMETHYLPYRIMIDIN2YL)SULFANYLMETHYL)2ETHOXYPHENYL)BENZOTRIAZOLE
CCOC1=C(C=C(C=C1)CSC2=NC(=CC(=N2)C)C)N3N=C4C=CC=CC4=N3
InChI=1SC21H21N5OSc14272010916(1328212214(2)1115(3)2321)1219(20)262417756818(17)2526h512H413H213H3
MFCD05857982
ZINC000001428803
ZINC01428803
ZINC1428803
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