Vitas-M small molecule compound
2-chloro-4-(5-{(Z)-[1-(3-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK568374
SMILES Fc1cccc(c1)N1C(=NC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)Cl)C(=O)O)/C1=O)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 C22H12ClFN2O5S MW 470.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12ClFN2O5S/c23-17-8-11(4-6-15(17)21(29)30)18-7-5-14(31-18)10-16-19(27)25-22(32)26(20(16)28)13-3-1-2-12(24)9-13/h1-10H,(H,29,30)(H,25,27,32)/b16-10-InChIKey
NFFKVHGPTWBMKQ-YBEGLDIGSA-NSynonyms
2chloro4(5((Z)(1(3fluorophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)furan2yl)benzoicacid
2CHLORO4(5((Z)(1(3FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1=CC(=CC(=C1)F)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)C(=O)NC2=S
Fc1cccc(c1)N1C(=NC(=O)C(=Cc2ccc(o2)c2ccc(c(c2)Cl)C(=O)O)C1=O)S
InChI=1SC22H12ClFN2O5Sc2317811(4615(17)21(29)30)187514(3118)101619(27)2522(32)26(20(16)28)1331212(24)913h110H(H2930)(H252732)b1610
MFCD05724368
ZINC000017198257
ZINC17198257
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