Vitas-M small molecule compound
4-[(4-{(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STL047404
SMILES OC(=O)c1ccc(cc1)COc1ccc(cc1)/C=C\1/C(=O)N=C(N(C1=O)c1ccccc1F)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 C25H17FN2O5S MW 476.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17FN2O5S/c26-20-3-1-2-4-21(20)28-23(30)19(22(29)27-25(28)34)13-15-7-11-18(12-8-15)33-14-16-5-9-17(10-6-16)24(31)32/h1-13H,14H2,(H,31,32)(H,27,29,34)/b19-13-InChIKey
DWZCSLLHSBADOY-UYRXBGFRSA-NSynonyms
347385-29-9347385299
4((4((Z)(1(2fluorophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)phenoxy)methyl)benzoicacid
4((4((Z)(1(2FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
C1=CC=C(C(=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)C(=O)NC2=S)F
InChI=1SC25H17FN2O5Sc2620312421(20)2823(30)19(22(29)2725(28)34)131571118(12815)3314165917(10616)24(31)32h113H14H2(H3132)(H272934)b1913
MFCD04077236
OC(=O)c1ccc(cc1)COc1ccc(cc1)C=C1C(=O)N=C(N(C1=O)c1ccccc1F)S
ZINC000017196074
ZINC17196074
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