Vitas-M small molecule compound
2-chloro-5-({[(5-ethyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STK599706
SMILES CCc1c(C)nc(nc1O)SCC(=O)Nc1ccc(c(c1)C(=O)O)Cl
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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 C16H16ClN3O4S MW 381.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16ClN3O4S/c1-3-10-8(2)18-16(20-14(10)22)25-7-13(21)19-9-4-5-12(17)11(6-9)15(23)24/h4-6H,3,7H2,1-2H3,(H,19,21)(H,23,24)(H,18,20,22)InChIKey
OKMMENLUTAJLAI-UHFFFAOYSA-NSynonyms
889962-77-02chloro5((((5ethyl4hydroxy6methylpyrimidin2yl)sulfanyl)acetyl)amino)benzoicacid
2CHLORO5((2((5ETHYL6METHYL4OXO1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOICACID
2chloro5(2((5ethyl4hydroxy6methylpyrimidin2yl)thio)acetamido)benzoicacid
889962770
CCC1=C(NC(=NC1=O)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)C
InChI=1SC16H16ClN3O4Sc13108(2)1816(2014(10)22)25713(21)1994512(17)11(69)15(23)24h46H37H212H3(H1921)(H2324)(H182022)
MFCD06617713
ZINC000006658553
ZINC6658553
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