Vitas-M small molecule compound
2-{(2E)-2-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]ethyl}pentanedioic acid
Catalog ID
STL045508
SMILES OC(=O)CCC(C(=O)O)C/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)F)S
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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 C17H15FN2O6S MW 394.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15FN2O6S/c18-10-3-5-11(6-4-10)20-15(24)12(14(23)19-17(20)27)7-1-9(16(25)26)2-8-13(21)22/h3-7,9H,1-2,8H2,(H,21,22)(H,25,26)(H,19,23,27)/b12-7+InChIKey
QVCKOCWTVQKOOC-KPKJPENVSA-NSynonyms
672318-89-72((2E)2(1(4fluorophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)ethyl)pentanedioicacid
2((2E)2(1(4FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)ETHYL)PENTANEDIOICACID
672318897
C1=CC(=CC=C1N2C(=O)C(=CCC(CCC(=O)O)C(=O)O)C(=O)NC2=S)F
InChI=1SC17H15FN2O6Sc18103511(6410)2015(24)12(14(23)1917(20)27)719(16(25)26)2813(21)22h379H128H2(H2122)(H2526)(H192327)b127+
MFCD04073810
OC(=O)CCC(C(=O)O)CC=C1C(=O)N=C(N(C1=O)c1ccc(cc1)F)S
ZINC000002409546
ZINC000002409548
Check stock
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