Vitas-M small molecule compound
2-({(E)-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)-4-(methylsulfonyl)butanoic acid
Catalog ID
STK561070
SMILES OC(=O)C(CCS(=O)(=O)C)N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)F)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 C16H16FN3O7S MW 413.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16FN3O7S/c1-28(26,27)7-6-12(15(23)24)18-8-11-13(21)19-16(25)20(14(11)22)10-4-2-9(17)3-5-10/h2-5,8,12,18H,6-7H2,1H3,(H,23,24)(H,19,21,25)/b11-8+InChIKey
ZNRQPEPPEXKKBY-DHZHZOJOSA-NSynonyms
2(((E)(1(4FLUOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)4METHYLSULFONYLBUTANOICACID
2(((E)(1(4fluorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)amino)4(methylsulfonyl)butanoicacid
CS(=O)(=O)CCC(C(=O)O)NC=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)F
InChI=1SC16H16FN3O7Sc128(2627)7612(15(23)24)1881113(21)1916(25)20(14(11)22)10429(17)3510h2581218H67H21H3(H2324)(H192125)b118+
MFCD04072859
OC(=O)C(CCS(=O)(=O)C)NC=C1C(=NC(=O)N(C1=O)c1ccc(cc1)F)O
ZINC000002428841
ZINC000002428843
Check stock
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