Vitas-M small molecule compound
4-chloro-3-(5-{(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK197657
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(o2)c2cc(ccc2Cl)C(=O)O)/C1=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 C23H15ClN2O6S MW 482.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15ClN2O6S/c1-31-14-5-3-13(4-6-14)26-21(28)17(20(27)25-23(26)33)11-15-7-9-19(32-15)16-10-12(22(29)30)2-8-18(16)24/h2-11H,1H3,(H,29,30)(H,25,27,33)/b17-11+InChIKey
NRNJDUCMNOYFPM-GZTJUZNOSA-NSynonyms
(E)4chloro3(5((1(4methoxyphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
4CHLORO3(5((1(4METHOXYPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2FURYL)BENZOICACID
4CHLORO3(5((E)(1(4METHOXYPHENYL)46DIOXO2SULFANYL16DIHYDROPYRIMIDIN5(4H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
4CHLORO3(5((E)(1(4METHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4CHLORO3(5((E)(1(4METHOXYPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)C(=O)O)C1=O
InChI=1SC23H15ClN2O6Sc131145313(4614)2621(28)17(20(27)2523(26)33)11157919(3215)161012(22(29)30)2818(16)24h211H1H3(H2930)(H252733)b1711+
MFCD02071650
ZINC2163892
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