Vitas-M small molecule compound
4-({(E)-[1-(butan-2-yl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)benzoic acid
Catalog ID
STK562249
SMILES CCC(N1C(=NC(=O)/C(=C\Nc2ccc(cc2)C(=O)O)/C1=O)S)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 C16H17N3O4S MW 347.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4S/c1-3-9(2)19-14(21)12(13(20)18-16(19)24)8-17-11-6-4-10(5-7-11)15(22)23/h4-9,17H,3H2,1-2H3,(H,22,23)(H,18,20,24)/b12-8+InChIKey
QUAQHVLEEDCGSB-XYOKQWHBSA-NSynonyms
4(((E)(1(butan2yl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)amino)benzoicacid
4(((E)(1butan2yl46dioxo2sulfanylidene13diazinan5ylidene)methyl)amino)benzoicacid
CCC(C)N1C(=O)C(=CNC2=CC=C(C=C2)C(=O)O)C(=O)NC1=S
CCC(N1C(=NC(=O)C(=CNc2ccc(cc2)C(=O)O)C1=O)S)C
InChI=1SC16H17N3O4Sc139(2)1914(21)12(13(20)1816(19)24)817116410(5711)15(22)23h4917H3H212H3(H2223)(H182024)b128+
MFCD04073634
ZINC000006243262
ZINC000020291736
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