Vitas-M small molecule compound
4-({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}methyl)benzoic acid
Catalog ID
STL406448
SMILES COCc1cc(C)nc(c1C#N)SCc1ccc(cc1)C(=O)O
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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 C17H16N2O3S MW 328.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O3S/c1-11-7-14(9-22-2)15(8-18)16(19-11)23-10-12-3-5-13(6-4-12)17(20)21/h3-7H,9-10H2,1-2H3,(H,20,21)InChIKey
CTMNOSXVRHYXMV-UHFFFAOYSA-NSynonyms
4(((3cyano4(methoxymethyl)6methylpyridin2yl)sulfanyl)methyl)benzoicacid
4((3CYANO4(METHOXYMETHYL)6METHYLPYRIDIN2YL)SULFANYLMETHYL)BENZOICACID
CC1=NC(=C(C(=C1)COC)C#N)SCC2=CC=C(C=C2)C(=O)O
InChI=1SC17H16N2O3Sc111714(9222)15(818)16(1911)2310123513(6412)17(20)21h37H910H212H3(H2021)
MFCD03236102
ZINC000005894094
ZINC5894094
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