Vitas-M small molecule compound
3-[({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK743852
SMILES COCc1cc(C)nc(c1C#N)SCC(=O)Nc1cccc(c1)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 C18H17N3O4S MW 371.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4S/c1-11-6-13(9-25-2)15(8-19)17(20-11)26-10-16(22)21-14-5-3-4-12(7-14)18(23)24/h3-7H,9-10H2,1-2H3,(H,21,22)(H,23,24)InChIKey
JTCCWHWVQSTZTA-UHFFFAOYSA-NSynonyms
878677-42-03((((3cyano4(methoxymethyl)6methylpyridin2yl)sulfanyl)acetyl)amino)benzoicacid
3((2(3CYANO4(METHOXYMETHYL)6METHYLPYRIDIN2YL)SULFANYLACETYL)AMINO)BENZOICACID
3(2((3cyano4(methoxymethyl)6methylpyridin2yl)thio)acetamido)benzoicacid
878677420
CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=CC=CC(=C2)C(=O)O
InChI=1SC18H17N3O4Sc111613(9252)15(819)17(2011)261016(22)211453412(714)18(23)24h37H910H212H3(H2122)(H2324)
MFCD07392650
ZINC000004932008
ZINC4932008
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