Vitas-M small molecule compound
2-(5-{(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK617260
SMILES Clc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc(o2)c2ccccc2C(=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 C22H13ClN2O5S MW 452.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13ClN2O5S/c23-12-5-7-13(8-6-12)25-20(27)17(19(26)24-22(25)31)11-14-9-10-18(30-14)15-3-1-2-4-16(15)21(28)29/h1-11H,(H,28,29)(H,24,26,31)/b17-11+InChIKey
PGWPLCKAJYHEBE-GZTJUZNOSA-NSynonyms
6021-92-72(5((1(4CHLOROPHENYL)46DIOXO2THIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)2FURYL)BENZOICACID
2(5((E)(1(4chlorophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)furan2yl)benzoicacid
2(5((E)(1(4CHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
6021927
C1=CC=C(C(=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl)C(=O)O
Clc1ccc(cc1)N1C(=NC(=O)C(=Cc2ccc(o2)c2ccccc2C(=O)O)C1=O)S
InChI=1SC22H13ClN2O5Sc23125713(8612)2520(27)17(19(26)2422(25)31)111491018(3014)15312416(15)21(28)29h111H(H2829)(H242631)b1711+
MFCD08734693
ZINC000008770028
ZINC8770028
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